| States DJ, Swaminathan S, Karplus M. CHARMM: a program for macromolecular energy, minimization, and dynamics calculations BR Brooks, RE Bruccoleri, BD Olafson J. comput. Chem 4 (2), 187-217, 1983 | 13781 | 1983 |
| CHARMM: A program for macromolecular energy, minimization, and dynamics calculations BR Brooks, RE Bruccoleri, BD Olafson, DJ States, S Swaminathan, ... Journal of computational chemistry 4 (2), 187-217, 1983 | 11809* | 1983 |
| CHARMM: the biomolecular simulation program BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ... Journal of computational chemistry 30 (10), 1545-1614, 2009 | 8610 | 2009 |
| Constant pressure molecular dynamics simulation: The Langevin piston method SE Feller, Y Zhang, RW Pastor, BR Brooks The Journal of chemical physics 103 (11), 4613-4621, 1995 | 4562 | 1995 |
| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3039 | 2015 |
| Encyclopedia of computational chemistry WL Hase Wiley, New York 1, 399-402, 1998 | 2573* | 1998 |
| 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 | 1950 | 2017 |
| New spherical‐cutoff methods for long‐range forces in macromolecular simulation PJ Steinbach, BR Brooks Journal of computational chemistry 15 (7), 667-683, 1994 | 1259 | 1994 |
| Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide RJ Loncharich, BR Brooks, RW Pastor Biopolymers: Original Research on Biomolecules 32 (5), 523-535, 1992 | 1086 | 1992 |
| Harmonic dynamics of proteins: normal modes and fluctuations in bovine pancreatic trypsin inhibitor. B Brooks, M Karplus Proceedings of the National Academy of Sciences 80 (21), 6571-6575, 1983 | 1071 | 1983 |
| An analysis of the accuracy of Langevin and molecular dynamics algorithms RW Pastor, BR Brooks, A Szabo Molecular Physics 65 (6), 1409-1419, 1988 | 1009 | 1988 |
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 664 | 2021 |
| PSI4 1.4: Open-source software for high-throughput quantum chemistry DGA Smith, LA Burns, AC Simmonett, RM Parrish, MC Schieber, ... The Journal of chemical physics 152 (18), 2020 | 600 | 2020 |
| Harmonic analysis of large systems. I. Methodology BR Brooks, D Janežič, M Karplus Journal of computational chemistry 16 (12), 1522-1542, 1995 | 599 | 1995 |
| Solvent-induced forces between two hydrophilic groups SR Durell, BR Brooks, A Ben-Naim The Journal of Physical Chemistry 98 (8), 2198-2202, 1994 | 568 | 1994 |
| Self-guided Langevin dynamics simulation method X Wu, BR Brooks Chemical Physics Letters 381 (3-4), 512-518, 2003 | 484 | 2003 |
| Normal modes for specific motions of macromolecules: application to the hinge-bending mode of lysozyme. B Brooks, M Karplus Proceedings of the National Academy of Sciences 82 (15), 4995-4999, 1985 | 460 | 1985 |
| Effect of electrostatic force truncation on interfacial and transport properties of water SE Feller, RW Pastor, A Rojnuckarin, S Bogusz, BR Brooks The Journal of Physical Chemistry 100 (42), 17011-17020, 1996 | 451 | 1996 |
| Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water Y Zhang, SE Feller, BR Brooks, RW Pastor The Journal of chemical physics 103 (23), 10252-10266, 1995 | 440 | 1995 |
| The graphical unitary group approach to the electron correlation problem. Methods and preliminary applications BR Brooks, HF Schaefer III The Journal of chemical physics 70 (11), 5092-5106, 1979 | 414 | 1979 |
