W Michael Brown

Summary

Affiliation: Sandia National Laboratories
Country: USA

Publications

  1. ncbi request reprint Comparative structural analysis and kinetic properties of lactate dehydrogenases from the four species of human malarial parasites
    W Michael Brown
    Department of Biochemistry and Molecular Biology, University of New Mexico School of Medicine, Albuquerque, New Mexico 87131, USA
    Biochemistry 43:6219-29. 2004
  2. pmc Algorithmic dimensionality reduction for molecular structure analysis
    W Michael Brown
    Discrete Mathematics and Complex Systems, Sandia National Laboratories, Albuquerque, New Mexico 87185 1316, USA
    J Chem Phys 129:064118. 2008
  3. doi request reprint Efficient calculation of molecular properties from simulation using kernel molecular dynamics
    W Michael Brown
    Computational Biology, Sandia National Laboratories, Albuquerque, New Mexico 87185 1316, USA
    J Chem Inf Model 48:1626-37. 2008
  4. ncbi request reprint Optimal neuronal tuning for finite stimulus spaces
    W Michael Brown
    Computational Biology, Sandia National Laboratories, Albuquerque, NM 87123, USA
    Neural Comput 18:1511-26. 2006
  5. ncbi request reprint Designing novel polymers with targeted properties using the signature molecular descriptor
    W Michael Brown
    Department of Computational Biology, Sandia National Laboratories, P O Box 5800, Albuquerque, New Mexico 87185 0310, USA
    J Chem Inf Model 46:826-35. 2006
  6. ncbi request reprint A deterministic algorithm for constrained enumeration of transmembrane protein folds
    W Michael Brown
    Computational Biology, Sandia National Laboratories, Albuquerque, NM 87123, USA
    Comput Biol Chem 29:143-50. 2005
  7. ncbi request reprint Creating artificial binding pocket boundaries to improve the efficiency of flexible ligand docking
    W Michael Brown
    Department of Computational Biology, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA
    J Chem Inf Comput Sci 44:1412-22. 2004
  8. ncbi request reprint Reverse engineering chemical structures from molecular descriptors: how many solutions?
    Jean Loup Faulon
    Computational Bioscience, Sandia National Laboratories, 969, Livermore, CA 94551 9292, USA
    J Comput Aided Mol Des 19:637-50. 2005
  9. ncbi request reprint Using product kernels to predict protein interactions
    Shawn Martin
    Computational Biology, Sandia National Laboratories, PO Box 5800, 87185 1316, Albuquerque, NM 87185 1316, USA
    Adv Biochem Eng Biotechnol 110:215-45. 2008
  10. ncbi request reprint Prediction of beta-strand packing interactions using the signature product
    W Michael Brown
    Computational Biology 9212, Sandia National Laboratories, P O Box 5800, MS 310, Albuquerque, NM 87185, USA
    J Mol Model 12:355-61. 2006

Detail Information

Publications10

  1. ncbi request reprint Comparative structural analysis and kinetic properties of lactate dehydrogenases from the four species of human malarial parasites
    W Michael Brown
    Department of Biochemistry and Molecular Biology, University of New Mexico School of Medicine, Albuquerque, New Mexico 87131, USA
    Biochemistry 43:6219-29. 2004
    ..pH studies indicate that inhibitor binding is independent of pH in the pH 6-8 range, suggesting that differences in dissociation constants for a specific inhibitor are not due to altered active site pK values among the four pLDH...
  2. pmc Algorithmic dimensionality reduction for molecular structure analysis
    W Michael Brown
    Discrete Mathematics and Complex Systems, Sandia National Laboratories, Albuquerque, New Mexico 87185 1316, USA
    J Chem Phys 129:064118. 2008
    ....
  3. doi request reprint Efficient calculation of molecular properties from simulation using kernel molecular dynamics
    W Michael Brown
    Computational Biology, Sandia National Laboratories, Albuquerque, New Mexico 87185 1316, USA
    J Chem Inf Model 48:1626-37. 2008
    ....
  4. ncbi request reprint Optimal neuronal tuning for finite stimulus spaces
    W Michael Brown
    Computational Biology, Sandia National Laboratories, Albuquerque, NM 87123, USA
    Neural Comput 18:1511-26. 2006
    ..When a finite stimulus space is considered, we show that the encoding accuracy improves with narrow tuning for one- and two-dimensional stimuli. For three dimensions and higher, there is an optimal tuning width...
  5. ncbi request reprint Designing novel polymers with targeted properties using the signature molecular descriptor
    W Michael Brown
    Department of Computational Biology, Sandia National Laboratories, P O Box 5800, Albuquerque, New Mexico 87185 0310, USA
    J Chem Inf Model 46:826-35. 2006
    ..81 and 0.95. Using these QSPRs, we show how the inverse problem can be solved to design poly(N-methyl hexamethylene sebacamide) despite the fact that the polymer was used not used in the training of this model...
  6. ncbi request reprint A deterministic algorithm for constrained enumeration of transmembrane protein folds
    W Michael Brown
    Computational Biology, Sandia National Laboratories, Albuquerque, NM 87123, USA
    Comput Biol Chem 29:143-50. 2005
    ..The end result is a set of distinct protein conformations, which can be scored and refined as part of a process designed for computational elucidation of transmembrane protein structures...
  7. ncbi request reprint Creating artificial binding pocket boundaries to improve the efficiency of flexible ligand docking
    W Michael Brown
    Department of Computational Biology, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA
    J Chem Inf Comput Sci 44:1412-22. 2004
    ....
  8. ncbi request reprint Reverse engineering chemical structures from molecular descriptors: how many solutions?
    Jean Loup Faulon
    Computational Bioscience, Sandia National Laboratories, 969, Livermore, CA 94551 9292, USA
    J Comput Aided Mol Des 19:637-50. 2005
    ..We further use a stochastic search to retrieve structures matching specific topological index values. Finally, we investigate the safety of exchanging of fragmental descriptors using deterministic enumeration...
  9. ncbi request reprint Using product kernels to predict protein interactions
    Shawn Martin
    Computational Biology, Sandia National Laboratories, PO Box 5800, 87185 1316, Albuquerque, NM 87185 1316, USA
    Adv Biochem Eng Biotechnol 110:215-45. 2008
    ..We describe our method in detail and discuss the application of the method for predicting protein-protein interactions, beta-strand interactions, and protein-chemical interactions...
  10. ncbi request reprint Prediction of beta-strand packing interactions using the signature product
    W Michael Brown
    Computational Biology 9212, Sandia National Laboratories, P O Box 5800, MS 310, Albuquerque, NM 87185, USA
    J Mol Model 12:355-61. 2006
    ..For the top 25% highest confidence predictions, we are able to achieve 95.7% accuracy in beta-strand ordering. [Figure: see text]...