| A method to predict blood-brain barrier permeability of drug-like compounds using molecular dynamics simulations TS Carpenter, DA Kirshner, EY Lau, SE Wong, JP Nilmeier, FC Lightstone Biophysical journal 107 (3), 630-641, 2014 | 267 | 2014 |
| Nonequilibrium candidate Monte Carlo is an efficient tool for equilibrium simulation JP Nilmeier, GE Crooks, DDL Minh, JD Chodera Proceedings of the National Academy of Sciences 108 (45), E1009-E1018, 2011 | 128 | 2011 |
| A Peptide-Based Method for 13C Metabolic Flux Analysis in Microbial Communities A Ghosh, J Nilmeier, D Weaver, PD Adams, JD Keasling, ... PLoS computational biology 10 (9), e1003827, 2014 | 59 | 2014 |
| Rapid catalytic template searching as an enzyme function prediction procedure JP Nilmeier, DA Kirshner, SE Wong, FC Lightstone PloS one 8 (5), e62535, 2013 | 41 | 2013 |
| Catalytic site identification—a web server to identify catalytic site structural matches throughout PDB DA Kirshner, JP Nilmeier, FC Lightstone Nucleic acids research 41 (W1), W256-W265, 2013 | 39 | 2013 |
| Assessing protein loop flexibility by hierarchical Monte Carlo sampling J Nilmeier, L Hua, EA Coutsias, MP Jacobson Journal of chemical theory and computation 7 (5), 1564-1574, 2011 | 26 | 2011 |
| Antibodies as a model system for comparative model refinement BD Sellers, JP Nilmeier, MP Jacobson Proteins: Structure, Function, and Bioinformatics 78 (11), 2490-2505, 2010 | 21 | 2010 |
| Monte Carlo sampling with hierarchical move sets: POSH Monte Carlo J Nilmeier, MP Jacobson Journal of Chemical Theory and Computation 5 (8), 1968-1984, 2009 | 16 | 2009 |
| Multiscale Monte Carlo sampling of protein sidechains: Application to binding pocket flexibility J Nilmeier, M Jacobson Journal of chemical theory and computation 4 (5), 835-846, 2008 | 16 | 2008 |
| 3D Motifs JP Nilmeier, EC Meng, BJ Polacco, PC Babbitt From Protein Structure to Function with Bioinformatics, 361-392, 2017 | 7 | 2017 |
| A rigorous sequential update strategy for parallel kinetic Monte Carlo simulation JP Nilmeier, J Marian Computer Physics Communications 185 (10), 2479-2486, 2014 | 6 | 2014 |
| Catalytic site identification-a web server to identify catalytic site structural matches throughout PDB JP Nilmeier, DA Kirshner, SE Wong, FC Lightstone ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 248, 2014 | | 2014 |
| A Peptide-Based Method for 13C Metabolic Flux Analysis in Microbial A Ghosh, J Nilmeier, D Weaver, PD Adams, JD Keasling | | 2014 |
| Efficient and precise techniques for parallel kinetic Monte Carlo simulations JP Nilmeier ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 245, 2013 | | 2013 |
| Nonequilibrium candidate Monte Carlo: A new tool for efficient equilibrium simulation JP Nilmeier, GE Crooks, DDL Minh, JD Chodera | | 2013 |
| Quantum mechanical approaches to in silico enzyme characterization and drug design JP Nilmeier, JL Fattebert, MP Jacobson, C Kalyanaraman Lawrence Livermore National Lab.(LLNL), Livermore, CA (United States), 2012 | | 2012 |
| Computational Identification of Protein Catalytic Sites: Tests, Validation D Kirshner, J Nilmeier, F Lightstone | | 2011 |
| COMP 276-Multiscale Monte Carlo sampling of proteins JP Nilmeier, EA Coutsias, MP Jacobson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 235, 2008 | | 2008 |
| Monte Carlo methods for sampling protein configurations JP Nilmeier University of California, San Francisco, 2008 | | 2008 |
| Refining loop conformations in comparative models B Sellers, K Zhu, JP Nilmeier, MP Jacobson ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 232, 377-377, 2006 | | 2006 |
Felice C. LightstoneSenior Scientist, Lawrence Livermore National LaboratoryVerified email at llnl.gov
