Bernard R. Brooks
1962–2026 年に発表
- 133
- 論文数
- 39,027
- 被引用数
- 71
- h 指数
- 115
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology52%
- Computer Science10.2%
- Medicine9.9%
- Physics and Astronomy6.8%
- Materials Science5.5%
- Chemistry4.5%
- その他11.1%
トピック
- 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%
- その他63.4%
共著者
- 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
全論文
- Constant pressure molecular dynamics simulation: The Langevin piston method
著者: Scott E. Feller, Yuhong Zhang, Richard W. Pastor, Bernard R. Brooks - The Journal of Chemical Physics 1995 被引用: 4,525
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
著者: Bernard R. Brooks, Robert E. Bruccoleri, Barry D. Olafson, David J. States, S. Swaminathan, Martin Karplus - Journal of Computational Chemistry 1983 被引用: 14,945
- P SI4 1.4: Open-source software for high-throughput quantum chemistry
著者: 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 被引用: 1,001
- Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamide
著者: Richard J. Loncharich, Bernard R. Brooks, Richard W. Pastor - Biopolymers 1992 被引用: 1,199
- OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
著者: 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 被引用: 2,763
- Albumin-chaperoned cyanine dye yields superbright NIR-II fluorophore with enhanced pharmacokinetics
著者: 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 被引用: 261
- An analysis of the accuracy of Langevin and molecular dynamics algorithms
著者: Richard W. Pastor, Bernard R. Brooks, Attila Szabó - Molecular Physics 1988 被引用: 1,072
- New Spherical-Cutoff Methods for Long-Range Forces in Macromolecular Simulation
著者: Peter J. Steinbach, Bernard R. Brooks - Journal of Computational Chemistry, J. Comput. Chem. 1994 被引用: 1,163
- Solvent-Induced Forces between Two Hydrophilic Groups
著者: Stewart R. Durell, Bernard R. Brooks, Arieh Ben‐Naim - The Journal of Physical Chemistry 1994 被引用: 614
- A protocol for preparing explicitly solvated systems for stable molecular dynamics simulations
著者: Daniel R. Roe, Bernard R. Brooks - The Journal of Chemical Physics 2020 被引用: 104
- CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
著者: 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 被引用: 114
- GraphVAMPNet, using graph neural networks and variational approach to markov processes for dynamical modeling of biomolecules
著者: Mahdi Ghorbani, Samarjeet Prasad, Jeffery B. Klauda, Bernard R. Brooks - The Journal of Chemical Physics 2022 被引用: 48
- CHARMM36 Lipid Force Field with Explicit Treatment of Long-Range Dispersion: Parametrization and Validation for Phosphatidylethanolamine, Phosphatidylglycerol, and Ether Lipids
著者: Yalun Yu, Andreas Krämer, Richard M. Venable, Bernard R. Brooks, Jeffery B. Klauda, Richard W. Pastor - Journal of Chemical Theory and Computation 2021 被引用: 116
- A compression strategy for particle mesh Ewald theory
著者: Andrew C. Simmonett, Bernard R. Brooks - The Journal of Chemical Physics 2021 被引用: 95
- Effects of pH on Proteins: Predictions for Ensemble and Single-Molecule Pulling Experiments
著者: Edward P. O’Brien, Bernard R. Brooks, D. Thirumalai - Journal of the American Chemical Society 2011 被引用: 115
- Self-guided Langevin dynamics simulation method
著者: Xiongwu Wu, Bernard R. Brooks - Chemical Physics Letters 2003 被引用: 465
- Semi-automated Optimization of the CHARMM36 Lipid Force Field to Include Explicit Treatment of Long-Range Dispersion
著者: 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 被引用: 78
- pH replica‐exchange method based on discrete protonation states
著者: Satoru Itoh, A. Damjanović, Bernard R. Brooks - Proteins Structure Function and Bioinformatics 2011 被引用: 149
- Harmonic Analysis of Large Systems. I. Methodology
著者: Bernard R. Brooks, Dusanka Janezic, Martin Karplus - Journal of Computational Chemistry, J. Comput. Chem. 1995 被引用: 497
- Optimization of quantum mechanical molecular mechanical partitioning schemes: Gaussian delocalization of molecular mechanical charges and the double link atom method
著者: Debananda Das, Kirsten P. Eurenius, Eric M. Billings, Paul Sherwood, David C. Chatfield, Milan Hodošček, Bernard R. Brooks - The Journal of Chemical Physics 2002 被引用: 190
- Membrane permeability of small molecules from unbiased molecular dynamics simulations
著者: Andreas Krämer, An Ghysels, Eric Wang, Richard M. Venable, Jeffery B. Klauda, Bernard R. Brooks, Richard W. Pastor - The Journal of Chemical Physics 2020 被引用: 70
- Computer simulation of liquid/liquid interfaces. I. Theory and application to octane/water
著者: Yuhong Zhang, Scott E. Feller, Bernard R. Brooks, Richard W. Pastor - The Journal of Chemical Physics 1995 被引用: 375
- Simulations of Membranes and Other Interfacial Systems Using P21 and Pc Periodic Boundary Conditions
著者: Elizabeth A. Dolan, Richard M. Venable, Richard W. Pastor, Bernard R. Brooks - Biophysical Journal 2002 被引用: 83
- Protein p K a Prediction by Tree-Based Machine Learning
著者: Ada Y. Chen, Juyong Lee, Ana Damjanović, Bernard R. Brooks - Journal of Chemical Theory and Computation 2022 被引用: 36
