David Zanuy

Summary

Country: Spain

Publications

  1. doi request reprint Sequence dependence of C-end rule peptides in binding and activation of neuropilin-1 receptor
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Struct Biol 182:78-86. 2013
  2. doi request reprint Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing
    David Zanuy
    Department of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    J Comput Aided Mol Des 27:31-43. 2013
  3. doi request reprint DNA-conducting polymer complexes: a computational study of the hydrogen bond between building blocks
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona, Spain
    J Phys Chem B 112:3222-30. 2008
  4. ncbi request reprint Computational study of the fibril organization of polyglutamine repeats reveals a common motif identified in beta-helices
    David Zanuy
    Department of Chemical Engineering, E T S E I B U P C, Av Diagonal 647, 08028 Barcelona, Spain
    J Mol Biol 358:330-45. 2006
  5. ncbi request reprint Molecular dynamics study of complexes of poly(glutamate) and dodecyltrimethylammonium
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyers Industrials de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Biomacromolecules 8:663-71. 2007
  6. ncbi request reprint Contraction process of an electroactive actuator based on a one microsecond atomistic molecular dynamics simulation
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona 08028, Spain
    Chemistry 13:2695-700. 2007
  7. pmc The energy landscape of a selective tumor-homing pentapeptide
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 112:8692-700. 2008
  8. ncbi request reprint Testing beta-helix terminal coils stability by targeted substitutions with non-proteogenic amino acids: a molecular dynamics study
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Struct Biol 160:177-89. 2007
  9. ncbi request reprint Stability of tubular structures based on beta-helical proteins: self-assembled versus polymerized nanoconstructs and wild-type versus mutated sequences
    David Zanuy
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona, Spain
    Biomacromolecules 8:3135-46. 2007
  10. pmc Integrating the intrinsic conformational preferences of noncoded α-amino acids modified at the peptide bond into the noncoded amino acids database
    Guillem Revilla-López
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    Proteins 79:1841-52. 2011

Detail Information

Publications52

  1. doi request reprint Sequence dependence of C-end rule peptides in binding and activation of neuropilin-1 receptor
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Struct Biol 182:78-86. 2013
    ..The binding of RPAR analogs does not guarantee receptor activation; only stable complexes that are properly stabilized via loop III appear able to trigger NRP-1 activation...
  2. doi request reprint Engineering strategy to improve peptide analogs: from structure-based computational design to tumor homing
    David Zanuy
    Department of Chemical Engineering, ETSEIB, Universitat Politecnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    J Comput Aided Mol Des 27:31-43. 2013
    ..Combined, our results show how studies based on multi-disciplinary collaboration can converge and lead to useful biomedical advances...
  3. doi request reprint DNA-conducting polymer complexes: a computational study of the hydrogen bond between building blocks
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona, Spain
    J Phys Chem B 112:3222-30. 2008
    ....
  4. ncbi request reprint Computational study of the fibril organization of polyglutamine repeats reveals a common motif identified in beta-helices
    David Zanuy
    Department of Chemical Engineering, E T S E I B U P C, Av Diagonal 647, 08028 Barcelona, Spain
    J Mol Biol 358:330-45. 2006
    ....
  5. ncbi request reprint Molecular dynamics study of complexes of poly(glutamate) and dodecyltrimethylammonium
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyers Industrials de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Biomacromolecules 8:663-71. 2007
    ..The more important differences between the results obtained using the spherical cutoff and Particle Mesh Ewald methods are discussed...
  6. ncbi request reprint Contraction process of an electroactive actuator based on a one microsecond atomistic molecular dynamics simulation
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona 08028, Spain
    Chemistry 13:2695-700. 2007
    ..On the other hand, the rate of the contraction process is influenced by the presence of solvent molecules, which have been found to reduce it by a factor of about 1000...
  7. pmc The energy landscape of a selective tumor-homing pentapeptide
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 112:8692-700. 2008
    ..Accessible minima of all simulated systems reveal a multiple interaction pattern involving the ionized side chains of Arg, Glu, and Lys, which induces a beta-turn motif in the backbone observed in all simulated CREKA systems...
  8. ncbi request reprint Testing beta-helix terminal coils stability by targeted substitutions with non-proteogenic amino acids: a molecular dynamics study
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Struct Biol 160:177-89. 2007
    ..We conclude that if the replacement does not alter the energy balance between attractive non-covalent interactions and steric hindrance, synthetic residues are suitable candidates to nucleate beta-helix formation...
  9. ncbi request reprint Stability of tubular structures based on beta-helical proteins: self-assembled versus polymerized nanoconstructs and wild-type versus mutated sequences
    David Zanuy
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona, Spain
    Biomacromolecules 8:3135-46. 2007
    ....
  10. pmc Integrating the intrinsic conformational preferences of noncoded α-amino acids modified at the peptide bond into the noncoded amino acids database
    Guillem Revilla-López
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    Proteins 79:1841-52. 2011
    ....
  11. pmc NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids
    Guillem Revilla-López
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    J Phys Chem B 114:7413-22. 2010
    ..Furthermore, the NCAD usefulness is demonstrated through a test-case application example...
  12. ncbi request reprint On the protonation equilibrium for the benzimidazole derivative Hoechst 33258: an electronic molecular orbital study
    Carlos Aleman
    Departament d Enginyeria Quimica, E T S d Enginyers Industrials de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Biomol Struct Dyn 20:301-10. 2002
    ..Comparison of these Delta(p)K(a) values with experimentally reported data have been used to highlight the advantages and limitations of this strategy...
  13. pmc Application of 1-aminocyclohexane carboxylic acid to protein nanostructure computer design
    Francisco Rodríguez-Ropero
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Chem Inf Model 48:333-43. 2008
    ..Comparison with other Acnc residues indicates that the ability to adapt to the targeted position improves considerably with the ring size, i.e., when the rigidity introduced by the strain of the ring decreases...
  14. ncbi request reprint A molecular dynamics study of the stoichiometric complex formed by poly (alpha, L-glutamate) and octyltrimethylammonium ions in chloroform solution
    David Zanuy
    Department d Enginyeria Quimica, E T S d Enginyers Industrials de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Biopolymers 63:151-62. 2002
    ..It was found that the most populated arrangement was that with the surfactant cations interacting with two carboxylate groups simultaneously...
  15. ncbi request reprint Concepts and schemes for the re-engineering of physical protein modules: generating nanodevices via targeted replacements with constrained amino acids
    Carlos Aleman
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Phys Biol 3:S54-62. 2006
    ..The major challenge facing nanobiology is to be able to exercise fine control over the performance of these target-specific molecular machines...
  16. pmc In silico molecular engineering for a targeted replacement in a tumor-homing peptide
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 113:7879-89. 2009
    ..These results suggest that replacement of Arg by (Pro)hArg in CREKA may be useful in providing resistance against proteolytic enzymes while retaining conformational features which are essential for tumor-homing activity...
  17. ncbi request reprint Use of constrained synthetic amino acids in beta-helix proteins for conformational control
    David Zanuy
    Departament d Enginyeria Quimica, ETSEIB, Universitat Politecnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    J Phys Chem B 111:3236-42. 2007
    ..Simulations of wild type and mutated segments revealed that the ability of the phenylalanine analogue to nucleate turn conformations enhances the conformational stability of the beta-helix motif in isolated peptide segments...
  18. doi request reprint Sensing mechanism of calix[4]arene-substituted poly(thiophene) ion receptor: effects of the selectivity on the molecular rigidity
    Francisco Rodríguez-Ropero
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 113:8284-7. 2009
    ..These features are consistent with available experimental data explaining the selectivity of this material for Na+ over Li+ and K+...
  19. doi request reprint Parameterization of the torsional potential for calix[4]arene-substituted poly(thiophene)s
    Julien Preat
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona 08028, Spain
    J Comput Chem 31:1741-51. 2010
    ..This should be attributed to the strong constraints found in complex substituted poly(thiophene)s, which require parameterization strategies able to capture all the interactions and phenomena involved in their inter-ring rotations...
  20. pmc Conformational profile of a proline-arginine hybrid
    Guillermo Revilla-López
    Departament d Enginyeria Química, ETS d Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Chem Inf Model 50:1781-9. 2010
    ..Thus, both cis- and trans-((β)Pro)Arg exhibit a preference for the α(L) conformation as a consequence of the interactions established between the guanidinium moiety and the main-chain amide groups...
  21. ncbi request reprint The conformation of dehydroalanine in short homopeptides: molecular dynamics simulations of a 6-residue chain
    David Zanuy
    Departament d Enginyeria Quimica, ETSEIB, Universitat Politecnica de Catalunya, Diagonal 647, E 08028, Barcelona, Spain
    Biophys Chem 98:301-12. 2002
    ..Furthermore, ab initio calculations have been performed in order to estimate 1[H]-NMR chemical shifts. Results have been compared with experimental data...
  22. ncbi request reprint Thermally induced phase transition in helical comblike poly(beta-peptide)s: an atomistic simulation
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyers Industrials de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Comput Chem 24:770-8. 2003
    ..Results were consistent with available experimental observations. The limitations of atomistic simulations to study large length-scale phenomena are discussed...
  23. ncbi request reprint Backbone conformational preferences and pseudorotational ring puckering of 1-aminocyclopentane-1-carboxylic acid
    Carlos Aleman
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 110:21264-71. 2006
    ..Molecular dynamics simulations in both chloroform and aqueous solutions were performed to demonstrate the reliability of such parameters...
  24. doi request reprint Exploring the energy landscape of a molecular engineered analog of a tumor-homing peptide
    Guillem Revilla-López
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Phys Chem Chem Phys 13:9986-94. 2011
    ..Moreover, the conformational profile of the mutated peptide narrows towards the most stable structures previously observed for the parent CREKA peptide...
  25. doi request reprint Correlation between symmetry breaker position and the preferences of conformationally constrained homopeptides: a molecular dynamics investigation
    Juan Torras
    Departament d Enginyeria Quimica, EUETII, Universitat Politecnica de Catalunya, Pça Rei 15, Igualada 08700, Spain
    Biopolymers 90:695-706. 2008
    ....
  26. ncbi request reprint From peptide-based material science to protein fibrils: discipline convergence in nanobiology
    David Zanuy
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Phys Biol 3:S80-90. 2006
    ..For material scientists, the enhanced coverage of chemical space obtained by integrating proteins and synthetic organic chemistry through the introduction of non-natural residues allows a range of new useful potential applications...
  27. doi request reprint Intermolecular interactions in electron transfer through stretched helical peptides
    Daniel E López-Pérez
    Departament d Enginyeria Quimica, ETSEIB, Universitat Politecnica de Catalunya, Av Diagonal 647, 08028, Barcelona, Spain
    Phys Chem Chem Phys 14:10332-44. 2012
    ..Finally, quantum mechanical calculations have been used to investigate the variation of the electronic structure upon compression and stretching deformations...
  28. ncbi request reprint Comblike poly(alpha-alkyl gamma-glutamate)s: computer simulation studies of an intermediate thermal phase
    David Curcó
    Departament d Enginyeria Quimica, ETS d Enginyers Industrials de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Biomacromolecules 4:87-95. 2003
    ..Comparison with previously reported comblike poly(beta-peptide)s revealed significant differences in the organization of the alkyl side chains...
  29. doi request reprint Helical dendronized polymers with chiral second-generation dendrons: atomistic view and driving forces for structure formation
    Francisco Rodríguez-Ropero
    Departament d Enginyeria Quimica, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 113:14868-76. 2009
    ..In addition, the impact of the conformational changes produced when the protected system transforms into the deprotected one by the addition of acid has been evaluated...
  30. doi request reprint Modeling an electronic conductor based on natural peptide sequences
    Francisco Rodríguez-Ropero
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Barcelona E 08028, Spain
    Biomacromolecules 10:2338-43. 2009
    ..The overall results reflected that the system under study is a potential candidate to be used as a nanowire...
  31. doi request reprint A simulation strategy for the atomistic modeling of flexible molecules covalently tethered to rigid surfaces: application to peptides
    David Curcó
    Department d Enginyeria Quimica, Facultat de Quimica, Universitat de Barcelona, Martí Franques 1, Barcelona E 08028, Spain
    J Comput Chem 32:607-19. 2011
    ....
  32. doi request reprint Influence of the dye presence on the conformational preferences of CREKA, a tumor homing linear pentapeptide
    David Zanuy
    Departament d Enginyeria Quimica, ETS d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    Biopolymers 92:83-93. 2009
    ....
  33. doi request reprint Atomistic modeling of peptides bound to a chemically active surface: conformational implications
    David Curcó
    Department d Enginyeria Quimica, Facultat de Quimica, Universitat de Barcelona, Martí Franques 1, Barcelona E 08028, Spain
    J Pept Sci 17:132-8. 2011
    ..Specifically, simulations reflect that consideration of the peptide-surface interactions affect the geometrical orientation of the side chains, whereas the main chain conformation does not undergo significant modifications...
  34. ncbi request reprint Conformations of proline analogues having double bonds in the ring
    Alejandra Flores-Ortega
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 111:5475-82. 2007
    ..Interestingly, we also found that the N-acetyl-N'-methylamide derivative of pyrrole shows a high probability of having a cis peptide bond preceding the proline analogue...
  35. doi request reprint From poly(3,4-ethylenedioxythiophene) to poly(3,4-phenylenedioxythiophene): impact of the substitution of the ethylene bridge by the phenyl ring on the molecular properties
    Sergio Carrión
    Departament d Enginyeria Quimica, ETSEIB, Universitat Politecnica de Catalunya, Avda Diagonal 647, Barcelona E 08028, Spain
    J Phys Chem B 114:3494-9. 2010
    ..Accordingly, the oxidized poly(3,4-phenylenedioxythiophene) shows the lowest pi-pi* electron transition energy...
  36. doi request reprint Modeling the tetraphenylalanine-PEG hybrid amphiphile: from DFT calculations on the peptide to molecular dynamics simulations on the conjugate
    David Zanuy
    Departament d Enginyeria Química, E T S d Enginyeria Industrial de Barcelona, Universitat Politècnica de Catalunya, Diagonal 647, 08028 Barcelona, Spain
    J Phys Chem B 115:8937-46. 2011
    ..In spite of the small effect of the peptide in the hydrodynamic properties of the polymer, we conclude that the two counterparts of the amphiphile tend to organize as independent modules...
  37. ncbi request reprint Response of crown ether functionalized polythiophenes to alkaline ions
    David Zanuy
    Departament d Enginyeria Quimica, E T S d Enginyeria Industrial de Barcelona, Universitat Politecnica de Catalunya, Barcelona, Spain
    J Phys Chem B 116:4575-83. 2012
    ..Eur. J. 2009, 15, 4676]. Results indicate an entropycally driven binding preference...
  38. ncbi request reprint Extended disordered proteins: targeting function with less scaffold
    Kannan Gunasekaran
    Laboratory of Experimental and Computational Biology, NCI Frederick, MD 21702, USA
    Trends Biochem Sci 28:81-5. 2003
    ..Smaller sizes of cells, proteins, DNA and RNA conserve energy. Thus, disordered proteins provide a simple yet elegant solution to having large intermolecular interfaces, but with smaller protein, genome and cell sizes...
  39. ncbi request reprint Intrinsic conformational characteristics of alpha,alpha-diphenylglycine
    Jordi Casanovas
    Departament de Quimica, Escola Politecnica Superior, Universitat de Lleida, Spain
    J Org Chem 72:2174-81. 2007
    ..Molecular Dynamics simulations in aqueous solutions have been carried out to validate the parameters obtained...
  40. pmc Short peptide amyloid organization: stabilities and conformations of the islet amyloid peptide NFGAIL
    David Zanuy
    Laboratory of Experimental and Computational Biology, National Cancer Institute Frederick Cancer Research and Development Center, Frederick, Maryland 21702, USA
    Biophys J 84:1884-94. 2003
    ....
  41. ncbi request reprint De novo tubular nanostructure design based on self-assembly of beta-helical protein motifs
    Nurit Haspel
    School of Computer Science, Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel
    Structure 14:1137-48. 2006
    ..Analysis of these systems and a mutational study of selected candidates revealed that the presence of proline and glycine residues in the loops of beta-helical structures greatly enhances the structural stability of the systems...
  42. ncbi request reprint Side chain interactions determine the amyloid organization: a single layer beta-sheet molecular structure of the calcitonin peptide segment 15-19
    David Zanuy
    Laboratory of Experimental and Computational Biology, NCI Frederick, Bldg 469, Rm 151, Frederick, MD 21702, USA
    Phys Biol 1:89-99. 2004
    ..In terms of structural biology, our results clearly indicate that an amyloid organization implies a degree of complexity far beyond a simple nonspecific association of peptide strands via amide hydrogen bonds...
  43. ncbi request reprint A comparative study of amyloid fibril formation by residues 15-19 of the human calcitonin hormone: a single beta-sheet model with a small hydrophobic core
    Nurit Haspel
    School of Computer Science, Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel
    J Mol Biol 345:1213-27. 2005
    ..To further study specific interactions, we have mutated the penta-peptide, simulating DANKF, DFNKA and EFNKF. Here we describe the model, its relationship to experiment and its implications to amyloid organization...
  44. ncbi request reprint Insights into amyloid structural formation and assembly through computational approaches
    David Zanuy
    Laboratory of Experimental and Computational Biology, NCI Frederick, Bldg 469, Rm 151, Frederick, MD 21702, USA
    Amyloid 11:143-61. 2004
    ..Ultimately, obtaining molecular structures should facilitate efforts to therapy and drug design...
  45. pmc The stability and dynamics of the human calcitonin amyloid peptide DFNKF
    Hui Hsu Tsai
    Basic Research Program, Science Applications International Corporation Frederick, Laboratory of Experimental and Computational Biology, National Cancer Institute, National Institutes of Health, Frederick, Maryland 21702, USA
    Biophys J 87:146-58. 2004
    ..Simulations of mutants and capped peptides show that both interstrand hydrophobic and electrostatic interactions play important roles in stabilizing the DFNKF parallel oligomers. This study provides insights into amyloid formation...
  46. ncbi request reprint Peptide sequence and amyloid formation; molecular simulations and experimental study of a human islet amyloid polypeptide fragment and its analogs
    David Zanuy
    Laboratory of Experimental and Computational Biology, NCI Frederick, Building 469, Room 151, Frederick, MD 21702, USA
    Structure 12:439-55. 2004
    ..In particular, phenylalanine side chains cement the macromolecular assemblies due to their aromatic chemical character and restricted conformational flexibility when interacting with aliphatic residues...
  47. ncbi request reprint Principles of nanostructure design with protein building blocks
    Chung Jung Tsai
    Basic Research Program, SAIC Frederick, Inc, Center for Cancer Research Nanobiology Program, NCI Frederick, Frederick, Maryland 21702, USA
    Proteins 68:1-12. 2007
    ..Here we focus on the principles of nanostructure design with protein building blocks...
  48. ncbi request reprint Nanostructure design using protein building blocks enhanced by conformationally constrained synthetic residues
    Jie Zheng
    Basic Research Program, SAIC Frederick, Inc, Center for Cancer Research Nanobiology Program, NCI FCRDC, Frederick, Maryland 21702, USA
    Biochemistry 46:1205-18. 2007
    ..For the selected synthetic residue, similar size, hydrophobicity, and backbone conformational tendencies are desirable as in the Ac3c...
  49. doi request reprint A rigid, chiral, dendronized polymer with a thermally stable, right-handed helical conformation
    Afang Zhang
    Institute of Polymers, Department of Materials, ETH Zurich, Wolfgang Pauli Straase 10, Zurich, Switzerland
    Chemistry 14:6924-34. 2008
    ..Molecular dynamics simulations on models of PG2 reveal its helical conformation to be right-handed, irrespective of backbone tacticity, and initial results also indicate that de-PG2 retains the right-handedness...
  50. ncbi request reprint Thermal stability of the secondary structure of poly(alpha,L-glutamate) in self-assembled complexes as studied by molecular dynamics in chloroform solution
    David Zanuy
    Laboratory of Experimental and Computational Biology, NCI Frederick, Building 469, Room 151, Frederick, Maryland 21702, USA
    J Am Chem Soc 126:704-5. 2004
    ....
  51. pmc Changing the charge distribution of beta-helical-based nanostructures can provide the conditions for charge transfer
    Nurit Haspel
    School of Computer Science Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel
    Biophys J 93:245-53. 2007
    ....
  52. ncbi request reprint The sequence dependence of fiber organization. A comparative molecular dynamics study of the islet amyloid polypeptide segments 22-27 and 22-29
    David Zanuy
    Laboratory of Experimental and Computational Biology, NCI Frederick, Bldg 469, Rm 151, Frederick, MD 21702, USA
    J Mol Biol 329:565-84. 2003
    ..These include analysis of interaction patterns derived from specific sheet-associated packing...