Bernard R. Brooks
Active 1962–2026
- 133
- Papers
- 39,027
- Citations
- 71
- h-index
- 115
- i10-index
Citations
Citation sources
Countries
Institutions
Fields
- Biochemistry, Genetics and Molecular Biology52%
- Computer Science10.2%
- Medicine9.9%
- Physics and Astronomy6.8%
- Materials Science5.5%
- Chemistry4.5%
- Other11.1%
Topics
- Protein Structure and Dynamics14.9%
- Computational Drug Discovery Methods5.8%
- Enzyme Structure and Function5.4%
- Spectroscopy and Quantum Chemical Studies4.3%
- Lipid Membrane Structure and Behavior3.1%
- RNA and protein synthesis mechanisms3.1%
- Other63.4%
Coauthors
- Richard W. Pastor19
- Xiongwu Wu15
- Jeffery B. Klauda14
- Benjamin T. Miller10
- Milan Hodošček10
- Andrew C. Simmonett9
- Michael R. Jones9
- Richard M. Venable9
- D. Thirumalai8
- H. Lee Woodcock III8
- Juyong Lee8
- Florentina Tofoleanu7
- Frank C. Pickard IV7
- Gerhard König7
- Samarjeet Prasad7
- Wenjun Zheng7
- Jing Huang6
- Martin Karplus6
- Phillip S. Hudson6
- Andreas Krämer5
- Edward P. O’Brien5
- Mahdi Ghorbani5
- Muhamed Amin5
- Yihan Shao5
All papers
- Constant pressure molecular dynamics simulation: The Langevin piston method
Authors: Scott E. Feller, Yuhong Zhang, Richard W. Pastor, Bernard R. Brooks - The Journal of Chemical Physics 1995 cited by 4,525
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Authors: Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson, David J. States, S. Swaminathan, Martin Karplus - Journal of Computational Chemistry 1983 cited by 14,945
- P SI4 1.4: Open-source software for high-throughput quantum chemistry
Authors: Daniel G. A. Smith, Lori A. Burns, Andrew C. Simmonett, Robert M. Parrish, Matthew Cole Schieber, Raimondas Galvelis, Peter Kraus, Holger Kruse, Roberto Di Remigio, Asem Alenaizan, Andrew M. James, Susi Lehtola, Jonathon P. Misiewicz, Maximilian Scheurer, Robert A. Shaw, Jeffrey B. Schriber, Yi Xie, Zachary L. Glick, Dominic A. Sirianni, Joseph O'Brien, Jonathan M. Waldrop, Ashutosh Kumar, Edward G. Hohenstein, Benjamin P. Pritchard, Bernard R. Brooks, Henry F. Schaefer, Alexander Yu. Sokolov, Konrad Patkowski, A. Eugene DePrince, Uğur Bozkaya, Rollin A. King, Francesco A. Evangelista, Justin M. Turney, T. Daniel Crawford, C. David Sherrill - The Journal of Chemical Physics 2020 cited by 1,001
- Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide
Authors: Richard J. Loncharich, Bernard R. Brooks, Richard W. Pastor - Biopolymers 1992 cited by 1,199
- OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
Authors: Peter K. Eastman, Jason M. Swails, John D. Chodera, Robert McGibbon, Yutong Zhao, Kyle Beauchamp, Lee-Ping Wang, Andrew C. Simmonett, Matthew P. Harrigan, Chaya D. Stern, Rafal P. Wiewiora, Bernard R. Brooks, Vijay S. Pande - PLoS Computational Biology, PLoS Comput. Biol. 2016 cited by 2,763
- Albumin-chaperoned cyanine dye yields superbright NIR-II fluorophore with enhanced pharmacokinetics
Authors: Rui Tian, Qiao Zeng, Shoujun Zhu, Joseph Lau, Swati Chandra, Robert Ertsey, Kenneth S. Hettie, Nutte Teraphongphom, Zhubin Hu, Gang Niu, Dale O. Kiesewetter, Haitao Sun, Xiaodong Zhang, Alexander L. Antaris, Bernard R. Brooks, Xiaoyuan Chen - Science Advances 2019 cited by 261
- An analysis of the accuracy of Langevin and molecular dynamics algorithms
Authors: Richard W. Pastor, Bernard R. Brooks, Attila Szabó - Molecular Physics 1988 cited by 1,072
- New Spherical-Cutoff Methods for Long-Range Forces in Macromolecular Simulation
Authors: Peter J. Steinbach, Bernard R. Brooks - Journal of Computational Chemistry, J. Comput. Chem. 1994 cited by 1,163
- Solvent-Induced Forces between Two Hydrophilic Groups
Authors: Stewart R. Durell, Bernard R. Brooks, Arieh Ben‐Naim - The Journal of Physical Chemistry 1994 cited by 614
- A protocol for preparing explicitly solvated systems for stable molecular dynamics simulations
Authors: Daniel R. Roe, Bernard R. Brooks - The Journal of Chemical Physics 2020 cited by 104
- CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Authors: Wonmuk Hwang, Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih‐Wei Chu, Michael F. Crowley, Qiang Cui, A. Damjanović, Yuqing Deng, M. Devereux, Xinqiang Ding, Michael Feig, Jiali Gao, David R. Glowacki, James E. Gonzales, Mehdi Bagheri Hamaneh, Edward Harder, Ryan L. Hayes, Jing Huang, Yandong Huang, Phillip S. Hudson, Wonpil Im, Shahidul M. Islam, Wei Jiang, Michael R. Jones, Silvan Käser, Fiona L. Kearns, Nathan R. Kern, Jeffery B. Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A. Lemkul, Xiaorong Liu, Yun Luo, Alexander D. MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W. Pastor, Amanda R. Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, Yifei Qi, Thenmalarchelvi Rathinavelan, Daniel R. Roe, Benoı̂t Roux, Christopher N. Rowley, Jana Shen, Andrew C. Simmonett, Alexander J. Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M. Venable, Luke Warrensford, H. Lee Woodcock, Yujin Wu, Charles L. Brooks, Bernard R. Brooks, Martin Karplus - The Journal of Physical Chemistry B 2024 cited by 114
- GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules
Authors: Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks - The Journal of Chemical Physics 2022 cited by 48
- CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids
Authors: Yalun Yu, Andreas Krämer, Richard M. Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor - Journal of Chemical Theory and Computation 2021 cited by 116
- A compression strategy for particle mesh Ewald theory
Authors: Andrew C. Simmonett, Bernard R. Brooks - The Journal of Chemical Physics 2021 cited by 95
- Effects of pH on Proteins: Predictions for Ensemble and Single-Molecule Pulling Experiments
Authors: Edward P. O’Brien, Bernard R. Brooks, D. Thirumalai - Journal of the American Chemical Society 2011 cited by 115
- Self-guided Langevin dynamics simulation method
Authors: Xiongwu Wu, Bernard R. Brooks - Chemical Physics Letters 2003 cited by 465
- Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion
Authors: Yalun Yu, Andreas Krämer, Richard M. Venable, Andrew C. Simmonett, Alexander D. MacKerell, Jeffery B. Klauda, Richard W. Pastor, Bernard R. Brooks - Journal of Chemical Theory and Computation 2021 cited by 78
- pH replica‐exchange method based on discrete protonation states
Authors: Satoru Itoh, A. Damjanović, Bernard R. Brooks - Proteins Structure Function and Bioinformatics 2011 cited by 149
- Harmonic Analysis of Large Systems. I. Methodology
Authors: Bernard R. Brooks, Dusanka Janezic, Martin Karplus - Journal of Computational Chemistry, J. Comput. Chem. 1995 cited by 497
- Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method
Authors: Debananda Das, Kirsten P. Eurenius, Eric M. Billings, Paul Sherwood, David C. Chatfield, Milan Hodošček, Bernard R. Brooks - The Journal of Chemical Physics 2002 cited by 190
- Membrane permeability of small molecules from unbiased molecular dynamics simulations
Authors: Andreas Krämer, An Ghysels, Eric Wang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks, Richard W. Pastor - The Journal of Chemical Physics 2020 cited by 70
- Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water
Authors: Yuhong Zhang, Scott E. Feller, Bernard R. Brooks, Richard W. Pastor - The Journal of Chemical Physics 1995 cited by 375
- Simulations of Membranes and Other Interfacial Systems Using P21 and Pc Periodic Boundary Conditions
Authors: Elizabeth A. Dolan, Richard M. Venable, Richard W. Pastor, Bernard R. Brooks - Biophysical Journal 2002 cited by 83
- Protein p K a Prediction by Tree-Based Machine Learning
Authors: Ada Y. Chen, Juyong Lee, Ana Damjanović, Bernard R. Brooks - Journal of Chemical Theory and Computation 2022 cited by 36
