W. Michael Brown
- Home Page
E-mail: wmbrown@sandia.gov
Publications
- Brown,
W.M., Thompson, A.P., Schultz, P.A. Efficient Hybrid Evolutionary
Optimization of Interatomic Potential Models. Journal of
Chemical
Physics. 2010.
132: p. 024108 (1-10).
- Gray, Genetha A., Williams,
P.J., Brown, W.M., Faulon,
J.-L., Sale,
K.S.
Disparate Data Fusion for Protein Phosphorylation Prediction. Annals of Operations Research.
2010. 174: p. 219-235.
- Brown,
W.M., Petersen, M.K., Plimpton, S.J., Grest, G.S. Liquid Crystal Nanodroplets in
Solution. Journal of Chemical
Physics. 2009.
130: p. 044901 (1-7).
- Brown,
W.M., Martin, S.,
Pollock, S.N., Coutsias, E.A., Watson, J.-P. Algorithmic Dimensionality
Reduction for
Molecular Structure Analysis. Journal
of
Chemical
Physics.
2008. 129: p. 064118 (1-13).
- Brown,
W.M.,
Sasson, A., Bellew, D.R., Hunsaker, L.A., Martin, S., Leitao, A., Deck,
L.M., Vander Jagt, D. L., Oprea, T.I. Efficient
Calculation of Molecular Properties from Simulation using Kernel
Molecular Dynamics. Journal
of Chemical Information and Modeling, 2008. 48: p. 1626-1637.
Brown, W.M., Martin, S., Rintoul, M.D., Faulon, J.L. Designing Novel Polymers with
Targeted Properties using the Signature Molecular Descriptor. Journal
of
Chemical
Information
and
Modeling,
2006. 46: p. 826-835.
- Brown, W. M. and
Bäcker, A.
Optimal Neuronal Tuning for Finite Stimulus Spaces. Neural Computation,
2006. 18: p. 1511-1526.
Faulon, J.L., Brown, W. M., Martin, S., Faulon, J.L.
Reverse
Engineering Chemical Structures from Molecular Descriptors: How Many
Solutions? Journal of
Computer-Aided Molecular Design, 2005. 19: p. 637-650.
Brown, W. M., Faulon, JL., Sale, K.
A Deterministic Algorithm for Constrained Enumeration of Transmembrane
Protein Folds. Computational Biology and Chemistry, 2005.
29: p. 143-150.
Sillerud, L.O., Burks, E.J., Brown, W.M., Brown, D.C., and
Larson, R.S. NMR Solution
Structure of a Potent Peptide Inhibitor of
Integrin-based Cell Adhesion Produced by Homologous Amino Acid
Substitution. Journal of Peptide Research, 2004. 64: p.
127-140.
Brown, W.M. and Vander Jagt, D.L.
Creating Artificial Binding Pocket Boundaries to Improve the
Efficiency of Flexible Ligand Docking. Journal of Chemical
Information and Computer Science, 2004.
44: p. 1412-1422.
Brown, W.M., Hoard, A.,Vanderjagt, T.A., Hunsaker, L.A.,
Deck, L.M., Royer, R.E., Piper, R.C., Dame, J., Makler, D.L., and
Vander Jagt, D.L.
Comparative structural analysis and kinetic properties of lactate
dehydrogenases from four species of human malarial parasites. Biochemistry,
2004.
43:
p.
6219-6229.
Vander Jagt, D.L., Hunsaker, L.A., Young, B.S. and Brown, W.M.
Aldo-Keto Reductase-Catalyzed
Detoxication of
Endogenous Aldehydes
Associated with Diabetic Complications. American Chemical
Society
Series, 2004. 865: p. 23-35.
Brown, W.M., Hunsaker, L.A., Deck, J.A., Royer, R.E. and
Vander Jagt, D.L.
17-Beta-Hydroxysteroid Dehydrogenase Type 1: Computational Design of
Active Site Inhibitors Targeted to the Rossmann Fold. Chemico-Biological
Interactions, 2003. 143: p. 481-491.
Stoddard Hatch, M., Brown, W.M., Deck, J.A., Hunsaker, L.A.,
Deck, L.M. and Vander Jagt, D.L. Inhibition
of Yeast Lipase (Crl1) and
Cholesterol Esterase (Crl3) by 6-Chloro-2-Pyrones: Comparison with
Porcine Cholesterol Esterase. Biochim Biophys Acta, 2002.
1596(2): p. 381-91.
Vander Jagt, D.L., Hassebrook, R.K., Hunsaker, L.A., Brown,
W.M. and Royer, R.E. Metabolism
of the 2-Oxoaldehyde Methylglyoxal
by Aldose Reductase and by Glyoxalase-I: Roles for Glutathione in Both
Enzymes and Implications for Diabetic Complications. Chemico-Biological
Interactions, 2001. 130(1-3): p. 549-562.
Conference Proceedings
- Martin, S., Brown,
W.M., Faulon, J.-L., Weis, D., Visco, D. Inverse Design of Large
Molecules using Linear Diophantine Equations. Proceedings of the 2005 IEEE Computational
Systems Biology Conference, 2005. p. 11-16.
Book Chapters
- Martin, S., Brown, W.M., Faulon, J.-L., “Using Product Kernels to Predict Protein
Interactions,” in Advances in
Biochemical
Engineering/Biotechnology: Protein-Protein Interactions, H.
Seitz and
M. Werther, Eds., Springer-Verlag.
Technical Reports
- Brown, W.M., Thompson, A.P., Watson,
J-P., Schultz, P.A. Bridging Scales
from Ab Initio Models to
Predictive Empirical Models for Complex Materials. SAND Reports, 2008. 6454: p. 1-57.
- Grest, G. S., Brown, W. M.,
Lechman,
J.
B.,
Petersen,
M.
K.,
Plimpton,
S.
J.,
Schunk, P. R. Nanoparticle
Flow,
Ordering,
and
Self-Assembly. SAND Reports, 2008.
6516:
p.
1-29.
- Martin, S., Brown, W.M.,
Klavans,
R.,
Boyack,
K.W.,
DrL:
Distributed Recursive (Graph) Layout. SAND Reports, 2008. 2936: p. 1-10.
- Brown, W.M.,
Davidson, G.S. Interactomes to
Biological Phase Space: a
call to begin thinking at a new level in computational biology. SAND Reports, 2007. 6278: p. 1-30.
- May, E.E., Johnston, A.M., Watson,
J.P., Hart, W.E., Brown, W.M. Deciphering the Genetic Regulatory Code
Using an Inverse Error Control Coding Framework. SAND Reports, 2005. 1029: p. 1-41.
- Brown, W.M., Faulon,
J.L., Gray, G.A., Hunt, T.W., Schoeniger,
J.S.,Shirley, D., Slepoy, A., Young, M.M., Sale, K.L. Model-Building
Codes for Membrane Proteins. SAND
Reports, 2004. 6383: p. 1-75.
Research Highlights
- Scalable GPGPU Accelerated MD
Simulations Achieve >150x Speedup on a Single Node. NNSA ASC
Quarterly Newsletter. December 2009.
- Klein Bottle Discovered in
Molecular Conformation Data. CCIM
News
Notes.
2009.
- New Computational Methods
Enable Novel Nanoparticle Simulations. Computational Science Research Highlights.
2009. I-42 - I-43.
- German, J. Beauty, molecules deep. Sandia Technology - A Quarterly Research
and Development Magazine. 2008. 9: p. 5-7.
- German, J. Sandia leads three-year
alliance with companies interested in nanoparticle coatings, films.
Sandia Lab News. March 14
, 2008.
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