| LAMMPS-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales AP Thompson, HM Aktulga, R Berger, DS Bolintineanu, WM Brown, ... Computer Physics Communications 271, 108171, 2022 | 3379 | 2022 |
| Implementing molecular dynamics on hybrid high performance computers–short range forces WM Brown, P Wang, SJ Plimpton, AN Tharrington Computer Physics Communications 182 (4), 898-911, 2011 | 729 | 2011 |
| Implementing molecular dynamics on hybrid high performance computers–Particle–particle particle-mesh WM Brown, A Kohlmeyer, SJ Plimpton, AN Tharrington Computer Physics Communications 183 (3), 449-459, 2012 | 482 | 2012 |
| OpenOrd: an open-source toolbox for large graph layout S Martin, WM Brown, R Klavans, KW Boyack IS&T/SPIE Electronic Imaging, 786806-786806-11, 2011 | 406 | 2011 |
| Implementing molecular dynamics on hybrid high performance computers—Three-body potentials WM Brown, M Yamada Computer Physics Communications 184 (12), 2785-2793, 2013 | 144 | 2013 |
| Comparative structural analysis and kinetic properties of lactate dehydrogenases from the four species of human malarial parasites WM Brown, CA Yowell, A Hoard, TA Vander Jagt, LA Hunsaker, LM Deck, ... Biochemistry 43 (20), 6219-6229, 2004 | 138 | 2004 |
| Metabolism of the 2-oxoaldehyde methylglyoxal by aldose reductase and by glyoxalase-I: roles for glutathione in both enzymes and implications for diabetic complications DL Vander Jagt, RK Hassebrook, LA Hunsaker, WM Brown, RE Royer Chemico-biological interactions 130, 549-562, 2001 | 136 | 2001 |
| Algorithmic dimensionality reduction for molecular structure analysis WM Brown, S Martin, SN Pollock, EA Coutsias, JP Watson The Journal of chemical physics 129 (6), 064118, 2008 | 88 | 2008 |
| Liquid crystal nanodroplets in solution WM Brown, MK Petersen, SJ Plimpton, GS Grest The Journal of chemical physics 130 (4), 044901, 2009 | 84 | 2009 |
| New insights into the dynamics and morphology of P3HT: PCBM active layers in bulk heterojunctions JMY Carrillo, R Kumar, M Goswami, BG Sumpter, WM Brown Physical Chemistry Chemical Physics 15 (41), 17873-17882, 2013 | 70 | 2013 |
| Optimal neuronal tuning for finite stimulus spaces WM Brown, A Bäcker Neural computation 18 (7), 1511-1526, 2006 | 54 | 2006 |
| DrL: Distributed Recursive (Graph) Layout. SB Martin, WM Brown, R Klavans, KW Boyack Journal of Graph Algorithms and Applications, 2008 | 51 | 2008 |
| Poly (3-hexylthiophene) Molecular Bottlebrushes via Ring-Opening Metathesis Polymerization: Macromolecular Architecture Enhanced Aggregation S Ahn, DL Pickel, WM Kochemba, J Chen, D Uhrig, JP Hinestrosa, ... ACS Macro Letters 2 (8), 761-765, 2013 | 50 | 2013 |
| Designing novel polymers with targeted properties using the signature molecular descriptor WM Brown, S Martin, MD Rintoul, JL Faulon Journal of chemical information and modeling 46 (2), 826-835, 2006 | 48 | 2006 |
| 17-β-Hydroxysteroid dehydrogenase type 1: computational design of active site inhibitors targeted to the Rossmann fold WM Brown, LE Metzger, JP Barlow, LA Hunsaker, LM Deck, RE Royer, ... Chemico-biological interactions 143, 481-491, 2003 | 46 | 2003 |
| Optimizing legacy molecular dynamics software with directive-based offload WM Brown, JMY Carrillo, N Gavhane, FM Thakkar, SJ Plimpton Computer Physics Communications 195, 95-101, 2015 | 41 | 2015 |
| Accelerated application development: The ORNL Titan experience W Joubert, R Archibald, M Berrill, WM Brown, M Eisenbach, R Grout, ... Computers & Electrical Engineering 46, 123-138, 2015 | 39 | 2015 |
| Explicit Solvent Simulations of Friction between Brush Layers of Charged and Neutral Bottle-Brush Macromolecules JMY Carrillo, WM Brown, AV Dobrynin Macromolecules 45 (21), 8880-8891, 2012 | 32 | 2012 |
| Reverse engineering chemical structures from molecular descriptors: how many solutions? JL Faulon, WM Brown, S Martin Journal of computer-aided molecular design 19 (9), 637-650, 2005 | 32 | 2005 |
| An Evaluation of Molecular Dynamics Performance on the Hybrid Cray XK6 Supercomputer W Michael Brown, TD Nguyen, M Fuentes-Cabrera, JD Fowlkes, PD Rack, ... Procedia Computer Science 9, 186-195, 2012 | 30 | 2012 |
