Research Topics
| Markus J BuehlerSummaryAffiliation: Massachusetts Institute of Technology Country: USA Publications
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Detail Information
Publications
Extended graphynes: simple scaling laws for stiffness, strength and fractureSteven W Cranford
Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
Nanoscale 4:7797-809. 2012..Finally, the specific modulus and strength (normalized by areal density) is found to be near-constant, suggesting applications for light-weight, yet structurally robust molecular components...
Nature designs tough collagen: explaining the nanostructure of collagen fibrilsMarkus J Buehler
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 272, Cambridge, MA 02139, USA
Proc Natl Acad Sci U S A 103:12285-90. 2006....- Entropic elasticity controls nanomechanics of single tropocollagen moleculesMarkus J Buehler
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
Biophys J 93:37-43. 2007..Our molecular model is capable of describing different regimes of elastic and permanent deformation, without relying on empirical parameters, including a transition from entropic to energetic elasticity... - Nanomechanics of collagen fibrils under varying cross-link densities: atomistic and continuum studiesMarkus J Buehler
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
J Mech Behav Biomed Mater 1:59-67. 2008..The simulation results are compared with recent nanomechanical experiments at the scale of tropocollagen molecules and collagen fibrils... - Nanomechanical strength mechanisms of hierarchical biological materials and tissuesMarkus J Buehler
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Rm 1 235 A and B, Cambridge, MA, USA
Comput Methods Biomech Biomed Engin 11:595-607. 2008.... - Deformation and failure of protein materials in physiologically extreme conditions and diseaseMarkus J Buehler
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Nat Mater 8:175-88. 2009..We highlight opportunities to use knowledge gained from the integration of multiple scales with physical, biological and chemical concepts for potential applications in materials design and nanotechnology... 
Mechanical energy transfer and dissipation in fibrous beta-sheet-rich proteinsZhiping Xu
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235 A and B, Cambridge, Massachusetts 02139, USA
Phys Rev E Stat Nonlin Soft Matter Phys 81:061910. 2010....- Molecular and mesoscale mechanisms of osteogenesis imperfecta disease in collagen fibrilsAlfonso Gautieri
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
Biophys J 97:857-65. 2009..Our study explains how single point mutations can control the breakdown of tissue at much larger length scales, a question of great relevance for a broad class of genetic diseases... - Molecular mechanics of silk nanostructures under varied mechanical loadingGraham Bratzel
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
Biopolymers 97:408-17. 2012..The method used in this study could find broad applications in de novo design of silk-like tunable materials for an array of applications... - Viscoelastic properties of model segments of collagen moleculesAlfonso Gautieri
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Room 1 235A and B, Cambridge, MA, USA
Matrix Biol 31:141-9. 2012.... - Nanomechanical properties of vimentin intermediate filament dimersZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
Nanotechnology 20:425101. 2009.... - Nanoconfinement of spider silk fibrils begets superior strength, extensibility, and toughnessTristan Giesa
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, United States
Nano Lett 11:5038-46. 2011..Our study reveals a general mechanism to map nanoscale properties to the macroscale and provides a potent design strategy toward novel fiber and bulk nanomaterials through hierarchical structures... - Nonlinear material behaviour of spider silk yields robust websSteven W Cranford
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Nature 482:72-6. 2012..The superior performance of silk in webs is therefore not due merely to its exceptional ultimate strength and strain, but arises from the nonlinear response of silk threads to strain and their geometrical arrangement in a web... - Hierarchical structure controls nanomechanical properties of vimentin intermediate filamentsZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America
PLoS ONE 4:e7294. 2009.... - Geometric confinement governs the rupture strength of H-bond assemblies at a critical length scaleSinan Keten
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 272, Cambridge, Massachusetts, USA
Nano Lett 8:743-8. 2008..Our results explain recent experimental proteomics data, suggesting a correlation between the shear strength and the prevalence of beta-strand lengths in biology... - Alpha-helical protein networks are self-protective and flaw-tolerantTheodor Ackbarow
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
PLoS ONE 4:e6015. 2009..Our findings may help to explain the ability of cells to undergo large deformation without catastrophic failure while providing significant mechanical resistance... - Atomistic simulation of nanomechanical properties of Alzheimer's Abeta(1-40) amyloid fibrils under compressive and tensile loadingRaffaella Paparcone
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
J Biomech 43:1196-201. 2010..Our studies confirm that amyloids feature a very high stiffness, and elucidate the importance of the chemical and structural rearrangements of the fibrils during deformation... - Self-folding and aggregation of amyloid nanofibrilsRaffaella Paparcone
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
Nanoscale 3:1748-55. 2011.... - Energy landscape, structure and rate effects on strength properties of alpha-helical proteinsJérémie Bertaud
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
J Phys Condens Matter 22:035102. 2010..The mesoscale model reported here is generally applicable to other protein filaments that feature a serial array of domains that unfold under applied strain, where a similar length-dependent strength could be observed... - Strength limit of entropic elasticity in beta-sheet protein domainsSinan Keten
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
Phys Rev E Stat Nonlin Soft Matter Phys 78:061913. 2008..Our findings reveal that strength and elasticity are coupled and cannot be treated separately. The predictions of the model are compared with atomic force microscopy experiments of protein rupture... - Hierarchical structure and nanomechanics of collagen microfibrils from the atomistic scale upAlfonso Gautieri
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
Nano Lett 11:757-66. 2011.... - Coiled-coil intermediate filament stutter instability and molecular unfoldingMelis Arslan
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
Comput Methods Biomech Biomed Engin 14:483-9. 2011..As a result it features a smaller local bending stiffness than other segments and presents a seed for the initiation of molecular bending and unfolding at large deformation... - Molecular and nanostructural mechanisms of deformation, strength and toughness of spider silk fibrilsAndrea Nova
Department of Civil and Environmental Engineering, Massachusetts Institute ofTechnology, Cambridge, Massachusetts 02139, USA
Nano Lett 10:2626-34. 2010.... - Thickness of hydroxyapatite nanocrystal controls mechanical properties of the collagen-hydroxyapatite interfaceZhao Qin
Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235 A and B, Cambridge, Massachusetts 02139, USA
Langmuir 28:1982-92. 2012..We also show that the collagen-hydroxyapatite interface can be modeled with an elastic network model which, based on the results of atomistic simulations, provides a good estimate of the surface energy and other mechanical features... - Asymptotic strength limit of hydrogen-bond assemblies in proteins at vanishing pulling ratesSinan Keten
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
Phys Rev Lett 100:198301. 2008..This result explains earlier experimental and computational observations that indicate an asymptotical strength limit at vanishing pulling rates... - Cooperative deformation of hydrogen bonds in beta-strands and beta-sheet nanocrystalsZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Phys Rev E Stat Nonlin Soft Matter Phys 82:061906. 2010.... - A constitutive model of soft tissue: from nanoscale collagen to tissue continuumHuang Tang
Department of Civil and Environmental Engineering, Northwestern University, 2145 Sheridan Road, Evanston, IL 60208 3109, USA
Ann Biomed Eng 37:1117-30. 2009.... - Strain controlled thermomutability of single-walled carbon nanotubesZhiping Xu
Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
Nanotechnology 20:185701. 2009..This thermomutability concept--the ability to control thermal properties by means of external cues--could be used in developing novel thermal materials whose properties can be altered in situ... - Alport syndrome mutations in type IV tropocollagen alter molecular structure and nanomechanical propertiesMaya Srinivasan
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
J Struct Biol 168:503-10. 2009..These results suggest that localized structural changes at amino acid level induce severe alterations of the molecular properties. Our study opens a new approach in pursuing a bottom-up multi-scale analysis of this disease... - A multi-scale approach to understand the mechanobiology of intermediate filamentsZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
J Biomech 43:15-22. 2010..Then we will discuss how mechanical forces may interact with IFs in vivo both directly and through the activation of other proteins such as kinases... - A review of combined experimental and computational procedures for assessing biopolymer structure-process-property relationshipsGreta Gronau
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Mass Ave, Cambridge, MA 02139, USA
Biomaterials 33:8240-55. 2012..The combined use of experimental and computational tools has a very broad applicability not only in the field of biopolymers, but can be exploited to tailor the properties of other polymers and composite materials in general... - Hydration and distance dependence of intermolecular shearing between collagen molecules in a model microfibrilAlfonso Gautieri
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
J Biomech 45:2079-83. 2012..Moreover, the average force required to shear is approximately the same in solvated as in dry conditions (≈2.5 nN), which suggests that the role of water at the intermolecular level includes the transfer of load between molecules... - Sequence-structure correlations in silk: Poly-Ala repeat of N. clavipes MaSp1 is naturally optimized at a critical length scaleGraham Bratzel
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
J Mech Behav Biomed Mater 7:30-40. 2012..The approach used here may also find application in the design of other self-assembled molecular structures and fibers and in particular biologically inspired or completely synthetic systems... - Tunable nanomechanics of protein disulfide bonds in redox microenvironmentsSinan Keten
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Room 1 235A and B, Cambridge, MA 02139, United States
J Mech Behav Biomed Mater 5:32-40. 2012..The method used here provides a general computational protocol for studying mechanochemical fracture of large-scale protein materials concurrently with experimental efforts... - Tearing graphene sheets from adhesive substrates produces tapered nanoribbonsDipanjan Sen
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
Small 6:1108-16. 2010..By considering graphene as a model material for a broader class of two-dimensional atomic crystals, these results provide fundamental insights into the tearing and cracking mechanisms of highly confined nanomaterials... - Alzheimer's abeta(1-40) amyloid fibrils feature size-dependent mechanical propertiesZhiping Xu
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
Biophys J 98:2053-62. 2010..This issue is of great importance for comparing experimental and simulation results, and gaining a general understanding of the biological mechanisms underlying the growth of ectopic amyloid materials... - Mutations alter the geometry and mechanical properties of Alzheimer's Aβ(1-40) amyloid fibrilsRaffaella Paparcone
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139 4301, USA
Biochemistry 49:8967-77. 2010.... - Single molecule effects of osteogenesis imperfecta mutations in tropocollagen protein domainsAlfonso Gautieri
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
Protein Sci 18:161-8. 2009.... - Nanostructure and molecular mechanics of spider dragline silk protein assembliesSinan Keten
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, USA
J R Soc Interface 7:1709-21. 2010..Our findings set the stage for extensive atomistic investigations of silk, which may contribute towards an improved understanding of the source of the strength and toughness of this biological superfibre... - Nanoconfinement controls stiffness, strength and mechanical toughness of beta-sheet crystals in silkSinan Keten
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
Nat Mater 9:359-67. 2010..Our findings explain how size effects can be exploited to create bioinspired materials with superior mechanical properties in spite of relying on mechanically inferior, weak hydrogen bonds... - Cooperativity governs the size and structure of biological interfacesZhao Qin
Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge 02139, MA, USA
J Biomech 45:2778-83. 2012..A general model is proposed that explains the size and structure of biological interfaces from a fundamental point of view... - Influence of geometry on mechanical properties of bio-inspired silica-based hierarchical materialsLeon S Dimas
Department of Civil and Environmental Engineering, Laboratory for Atomistic and Molecular Mechanics, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA 02139, USA
Bioinspir Biomim 7:036024. 2012.... - Molecular dynamics simulation of the α-helix to β-sheet transition in coiled protein filaments: evidence for a critical filament length scaleZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 235A and B, Cambridge, Massachusetts 02139, USA
Phys Rev Lett 104:198304. 2010..Our study elucidates the fundamental physics of this mechanism and explains why the α-β transition typically occurs in protein filaments with long alpha-helical domains... - Nanomechanical sequencing of collagen: tropocollagen features heterogeneous elastic properties at the nanoscaleSebastien G M Uzel
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave Room 1 235A and B, Cambridge, MA, USA
Integr Biol (Camb) 1:452-9. 2009.... - Muscle dystrophy single point mutation in the 2B segment of lamin A does not affect the mechanical properties at the dimer levelHuanan Zhang
Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
J Biomech 41:1295-301. 2008.... - In silico assembly and nanomechanical characterization of carbon nanotube buckypaperSteven W Cranford
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, USA
Nanotechnology 21:265706. 2010.... - Molecular mechanics of mineralized collagen fibrils in boneArun K Nair
Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235 A and B, Cambridge, Massachusetts 02139, USA
Nat Commun 4:1724. 2013..These findings reveal the mechanism by which bone is able to achieve superior energy dissipation and fracture resistance characteristics beyond its individual constituents... - Selective hydrogen purification through graphdiyne under ambient temperature and pressureSteven W Cranford
Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
Nanoscale 4:4587-93. 2012.... - Comparative analysis of nanomechanics of protein filaments under lateral loadingMax Solar
Laboratory for Atomistic and Molecular Mechanics LAMM, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
Nanoscale 4:1177-83. 2012.... - Cyclic tensile strain triggers a sequence of autocrine and paracrine signaling to regulate angiogenic sprouting in human vascular cellsYu Ching Yung
Harvard School of Engineering and Applied Sciences, Harvard University, Cambridge, MA 02138, USA
Proc Natl Acad Sci U S A 106:15279-84. 2009..These results demonstrate that a singular mechanical cue (cyclic tensile strain) can trigger a cascade of autocrine and paracrine signaling events between ECs and SMCs critical to the angiogenic process... - Hierarchical graphene nanoribbon assemblies feature unique electronic and mechanical propertiesZhiping Xu
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Laboratory for Atomistic and Molecular Mechanics, Cambridge 02139, MA, USA
Nanotechnology 20:375704. 2009..The tuning of bulk material properties through controlling the nanostructure enables the synthesis of a broader class of biomimetic multifunctional mechanomutable and electromutable nanomaterials for electromechanical applications... - Intermediate filament-deficient cells are mechanically softer at large deformation: a multi-scale simulation studyJérémie Bertaud
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
Acta Biomater 6:2457-66. 2010..Our model opens the door to future studies to investigate disease states, the effects of amino acid mutations and how structural changes at different levels in the cell's structural makeup influence biomechanical properties... - Molecular structure, mechanical behavior and failure mechanism of the C-terminal cross-link domain in type I collagenSebastien G M Uzel
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA, USA
J Mech Behav Biomed Mater 4:153-61. 2011.... - Failure of Aβ(1-40) amyloid fibrils under tensile loadingRaffaella Paparcone
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
Biomaterials 32:3367-74. 2011..We use a combination of simulation results and simple theoretical models to define critical fibril lengths where distinct failure mechanisms dominate... - Natural stiffening increases flaw tolerance of biological fibersTristan Giesa
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, Massachusetts 02139, USA
Phys Rev E Stat Nonlin Soft Matter Phys 86:041902. 2012..Our study suggests that nonlinear stiffening provides a mechanism by which nanoscale mechanical properties can be scaled up, providing a means towards bioinspired fibrous material and structural design... - Composite materials. Taking a leaf from nature's bookMax I Solar
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
Nat Nanotechnol 7:417-9. 2012..Amyloid protein fibrils and graphene sheets can be combined to make a material that is biodegradable and has useful shape-memory and enzyme-sensing properties... - Molecular mechanism of force induced stabilization of collagen against enzymatic breakdownShu Wei Chang
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA
Biomaterials 33:3852-9. 2012..Our study explains the molecular mechanism by which force may regulate the formation and breakdown of collagenous tissue... - Structural and mechanical differences between collagen homo- and heterotrimers: relevance for the molecular origin of brittle bone diseaseShu Wei Chang
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts, USA
Biophys J 102:640-8. 2012.... - Geometry and temperature effects of the interfacial thermal conductance in copper- and nickel-graphene nanocompositesShu Wei Chang
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Room 1 235A and B, Cambridge, MA 02139, USA
J Phys Condens Matter 24:245301. 2012..Our results suggest that designs combining metal with single graphene layers provide the best thermal properties... - Structure and stability of the lamin A tail domain and HGPS mutantZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Mass Ave, Room 1 235A and B, Cambridge, MA 02139, USA
J Struct Biol 175:425-33. 2011..Also, this study provides the first molecular structure(s) of the lamin A tail domain, which is confirmed by thermodynamic tests in experiment... - A multi-timescale strength model of alpha-helical protein domainsTheodor Ackbarow
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 235A and B, Cambridge, MA, USA Max Planck Institute of Colloids and Interfaces, Science Park Golm, 14424 Potsdam, Germany
J Phys Condens Matter 21:035111. 2009..Our model provides a novel perspective on the strength of protein domains at ultra-slow pulling speeds relevant under physiologic and experimental conditions... - Atomistic study of crack-tip cleavage to dislocation emission transition in silicon single crystalsDipanjan Sen
Department of Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Phys Rev Lett 104:235502. 2010..By solely raising the temperature, we observe an abrupt change from brittle cracking to dislocation emission from a crack within a ≈10 K temperature interval... - Structure and dynamics of human vimentin intermediate filament dimer and tetramer in explicit and implicit solvent modelsZhao Qin
Center for Materials Science and Engineering, Massachusetts Institute of Technology, 77 Massachusetts Ave, Cambridge, MA, USA
J Mol Model 17:37-48. 2011.... - Heat dissipation at a graphene-substrate interfaceZhiping Xu
Department of Engineering Mechanics and Center for Nano and Micro Mechanics, Tsinghua University, Beijing 100084, People s Republic of China Laboratory for Atomic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
J Phys Condens Matter 24:475305. 2012.... - Bond energy effects on strength, cooperativity and robustness of molecular structuresChia Ching Chou
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue Room 1 235A and B, Cambridge, MA 02139, USA
Interface Focus 1:734-43. 2011..We conclude our analysis with a correlation of structural data of natural protein structures, which confirms the conclusions derived from our study... - Hydration of calcium oxide surface predicted by reactive force field molecular dynamicsHegoi Manzano
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, United States
Langmuir 28:4187-97. 2012..This transformation is the most probable reason for the CaO catalytic activity decrease... - Category theoretic analysis of hierarchical protein materials and social networksDavid I Spivak
Department of Mathematics, Massachusetts Institute of Technology, Cambridge, Massachusetts, United States of America
PLoS ONE 6:e23911. 2011.... - Alpha-helical protein domains unify strength and robustness through hierarchical nanostructuresTheodor Ackbarow
Department of Civil and Environmental Engineering, Laboratory for Atomistic and Molecular Mechanics, Massachusetts Institute of Technology, Cambridge, MA, USA
Nanotechnology 20:75103. 2009.... - Hierarchical nanostructures are crucial to mitigate ultrasmall thermal point loadsZhiping Xu
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
Nano Lett 9:2065-72. 2009..Our work brings about a synergistic viewpoint that combines advances in materials synthesis and insight gained from hierarchical biological structures, utilized to create novel functional materials with exceptional thermal properties... - Interface structure and mechanics between graphene and metal substrates: a first-principles studyZhiping Xu
Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA
J Phys Condens Matter 22:485301. 2010..The availability of structural and energetic data of graphene-metal interfaces could also be useful for the development of empirical force fields for molecular dynamics simulations... - Hierarchies, multiple energy barriers, and robustness govern the fracture mechanics of alpha-helical and beta-sheet protein domainsTheodor Ackbarow
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, MA 02139, USA
Proc Natl Acad Sci U S A 104:16410-5. 2007..6 HBs per turn. Our results provide evidence that the molecular structure of AHs maximizes its robustness at minimal use of building materials... - Flaw tolerance of nuclear intermediate filament lamina under extreme mechanical deformationZhao Qin
Laboratory for Atomistic and Molecular Mechanics, Department of Civil and Environmental Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, USA
ACS Nano 5:3034-42. 2011....