| OpenMM 7: Rapid development of high performance algorithms for molecular dynamics P Eastman, J Swails, JD Chodera, RT McGibbon, Y Zhao, KA Beauchamp, ... PLoS computational biology 13 (7), e1005659, 2017 | 2317 | 2017 |
| MDTraj: a modern open library for the analysis of molecular dynamics trajectories RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ... Biophysical journal 109 (8), 1528-1532, 2015 | 1985 | 2015 |
| Bioconda: sustainable and comprehensive software distribution for the life sciences B Grüning, R Dale, A Sjödin, BA Chapman, J Rowe, CH Tomkins-Tinch, ... Nature methods 15 (7), 475-476, 2018 | 1161 | 2018 |
| Everything you wanted to know about Markov State Models but were afraid to ask VS Pande, K Beauchamp, GR Bowman Methods 52 (1), 99-105, 2010 | 817 | 2010 |
| OpenMM 4: a reusable, extensible, hardware independent library for high performance molecular simulation P Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ... Journal of chemical theory and computation 9 (1), 461-469, 2013 | 727 | 2013 |
| Molecular simulation of ab initio protein folding for a millisecond folder NTL9 (1− 39) VA Voelz, GR Bowman, K Beauchamp, VS Pande Journal of the American Chemical Society 132 (5), 1526-1528, 2010 | 633 | 2010 |
| Progress and challenges in the automated construction of Markov state models for full protein systems GR Bowman, KA Beauchamp, G Boxer, VS Pande The Journal of chemical physics 131, 124101, 2009 | 476 | 2009 |
| Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements KA Beauchamp, YS Lin, R Das, VS Pande American Chemical Society, 2012 | 463 | 2012 |
| To milliseconds and beyond: challenges in the simulation of protein folding TJ Lane, D Shukla, KA Beauchamp, VS Pande Current opinion in structural biology 23 (1), 58-65, 2013 | 449 | 2013 |
| Msmbuilder2: Modeling conformational dynamics at the picosecond to millisecond scale KA Beauchamp, GR Bowman, TJ Lane, L Maibaum, IS Haque, VS Pande Journal of Chemical Theory and Computation, 2011 | 431 | 2011 |
| MSMBuilder: statistical models for biomolecular dynamics MP Harrigan, MM Sultan, CX Hernández, BE Husic, P Eastman, ... Biophysical journal 112 (1), 10-15, 2017 | 277 | 2017 |
| Building a more predictive protein force field: a systematic and reproducible route to AMBER-FB15 LP Wang, KA McKiernan, J Gomes, KA Beauchamp, T Head-Gordon, ... The Journal of Physical Chemistry B 121 (16), 4023-4039, 2017 | 253 | 2017 |
| Markov State Model Reveals Folding and Functional Dynamics in Ultra-Long MD Trajectories TJ Lane, GR Bowman, KA Beauchamp, VA Voelz, VS Pande Journal of the American Chemical Society, 2011 | 206 | 2011 |
| Simple few-state models reveal hidden complexity in protein folding KA Beauchamp, R McGibbon, YS Lin, VS Pande Proceedings of the National Academy of Sciences 109 (44), 17807-17813, 2012 | 183 | 2012 |
| Escaping atom types in force fields using direct chemical perception DL Mobley, CC Bannan, A Rizzi, CI Bayly, JD Chodera, VT Lim, NM Lim, ... Journal of chemical theory and computation 14 (11), 6076-6092, 2018 | 174 | 2018 |
| Investigating how peptide length and a pathogenic mutation modify the structural ensemble of amyloid beta monomer YS Lin, GR Bowman, KA Beauchamp, VS Pande Biophysical journal 102 (2), 315-324, 2012 | 138 | 2012 |
| Clinical utility of expanded carrier screening: results-guided actionability and outcomes KAJ Taber, KA Beauchamp, GA Lazarin, D Muzzey, A Arjunan, ... Genetics in Medicine 21 (5), 1041-1048, 2019 | 92 | 2019 |
| Quantitative comparison of villin headpiece subdomain simulations and triplet–triplet energy transfer experiments KA Beauchamp, DL Ensign, R Das, VS Pande Proceedings of the National Academy of Sciences 108 (31), 12734, 2011 | 87 | 2011 |
| Validation of an expanded carrier screen that optimizes sensitivity via full-exon sequencing and panel-wide copy number variant identification GJ Hogan, VS Vysotskaia, KA Beauchamp, S Seisenberger, PV Grauman, ... Clinical chemistry 64 (7), 1063-1073, 2018 | 73 | 2018 |
| Copernicus: A new paradigm for parallel adaptive molecular dynamics S Pronk, P Larsson, I Pouya, GR Bowman, IS Haque, K Beauchamp, ... Proceedings of 2011 International Conference for High Performance Computing …, 2011 | 73 | 2011 |
