Charles L. Brooks
Active 1983–2025
- 174
- Papers
- 37,250
- Citations
- 103
- h-index
- 167
- i10-index
Citations
Citation sources
Countries
Institutions
Fields
- Biochemistry, Genetics and Molecular Biology53.5%
- Medicine12.2%
- Computer Science11.3%
- Physics and Astronomy5.1%
- Materials Science3.6%
- Chemistry3.3%
- Other11%
Topics
- Protein Structure and Dynamics14%
- Enzyme Structure and Function5.9%
- Computational Drug Discovery Methods5.9%
- RNA and protein synthesis mechanisms4.4%
- Spectroscopy and Quantum Chemical Studies3.4%
- Lipid Membrane Structure and Behavior2.4%
- Other64%
Coauthors
- Ryan L. Hayes10
- Florence Tama9
- Martin Karplus9
- Michael Feig9
- D.J. Price8
- Douglas J. Tobias8
- Alexander D. MacKerell6
- Alison R. H. Narayan6
- Jianhan Chen6
- Jonah Z. Vilseck6
- Wonpil Im6
- Jana Khandogin5
- Joan‐Emma Shea5
- Murray S. Mazer5
- Troy Wymore5
- Attabey Rodríguez Benítez4
- John Karanicolas4
- Joshua Buckner4
- José N. Onuchic4
- Vijay Reddy4
- Xinqiang Ding4
- Yujin Wu4
- Andrzej Koliński3
- Anna K. Mapp3
All papers
- CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
Authors: Jumin Lee, Xi Cheng, Jason Swails, Min Sun Yeom, Peter Eastman, Justin A. Lemkul, Shuai Wei, Joshua Buckner, Jong Cheol Jeong, Yifei Qi, Sunhwan Jo, Vijay S. Pande, David A. Case, Charles L. Brooks, Alexander D. MacKerell, Jeffery B. Klauda, Wonpil Im - Journal of Chemical Theory and Computation 2015 cited by 4,325
- A modified TIP3P water potential for simulation with Ewald summation
Authors: D.J. Price, Charles L. Brooks - The Journal of Chemical Physics 2004 cited by 1,676
- Detailed analysis of grid-based molecular docking: A case study of CDOCKER - A CHARMm-based MD docking algorithm
Authors: Guosheng Wu, D. H. Robertson, Charles L. Brooks, Michal Vieth - Journal of Computational Chemistry, J. Comput. Chem. 2003 cited by 1,551
- Improved Treatment of the Protein Backbone in Empirical Force Fields
Authors: Alexander D. MacKerell, Michael Feig, Charles L. Brooks - Journal of the American Chemical Society 2003 cited by 1,010
- Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand–protein interactions
Authors: Ignacio Soteras, Fang-Yu Lin, Kenno Vanommeslaeghe, Justin A. Lemkul, Kira A. Armacost, Charles L. Brooks, Alexander D. MacKerell - Bioorganic & Medicinal Chemistry 2016 cited by 297
- Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2)
Authors: Sang Joon Won, Dahvid Davda, Kristin Jansen Labby, Sin Ye Hwang, Rachel Pricer, Jaimeen D. Majmudar, Kira A. Armacost, Laura A. Rodriguez, Christina L. Rodriguez, Fei San Chong, Kristopher A. Torossian, Jasmine Palakurthi, Edward S. Hur, Jennifer L. Meagher, Charles L. Brooks, Jeanne A. Stuckey, Brent R. Martin - ACS Chemical Biology 2016 cited by 110
- Deciphering protein evolution and fitness landscapes with latent space models
Authors: Xinqiang Ding, Zhengting Zou, Charles L. Brooks - Nature Communications 2019 cited by 115
- λ-dynamics: A new approach to free energy calculations
Authors: Xianjun Kong, Charles L. Brooks - The Journal of Chemical Physics 1996 cited by 376
- 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
- Albumin Binding to FcRn: Distinct from the FcRn−IgG Interaction
Authors: Chaity Chaudhury, Charles L. Brooks, Daniel C. Carter, John M. Robinson, Clark L. Anderson - Biochemistry 2006 cited by 282
- Deciphering the evolution of flavin-dependent monooxygenase stereoselectivity using ancestral sequence reconstruction
Authors: Chang-Hwa Chiang, Troy Wymore, Attabey Rodríguez Benítez, Azam Hussain, Janet L. Smith, Charles L. Brooks, Alison R. H. Narayan - National Academy of Sciences, Proceedings of the National Academy of Sciences 2023 cited by 35
- Hierarchy of RNA Functional Dynamics
Authors: Anthony M. Mustoe, Charles L. Brooks, Hashim M. Al‐Hashimi - Annual Review of Biochemistry 2014 cited by 217
- Constant‐pH molecular dynamics using continuous titration coordinates
Authors: Michael S. Lee, Freddie R. Salsbury, Charles L. Brooks - Proteins Structure Function and Bioinformatics 2004 cited by 368
- MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology
Authors: Michael Feig, John Karanicolas, Charles L. Brooks - Journal of Molecular Graphics and Modelling 2004 cited by 887
- Stochastic boundary conditions for molecular dynamics simulations of ST2 water
Authors: Axel T. Brünger, Charles L. Brooks, Martin Karplus - Chemical Physics Letters 1984 cited by 634
- Multisite λ Dynamics for Simulated Structure–Activity Relationship Studies
Authors: Jennifer L. Knight, Charles L. Brooks - Journal of Chemical Theory and Computation 2011 cited by 110
- Automated, Accurate, and Scalable Relative Protein–Ligand Binding Free-Energy Calculations Using Lambda Dynamics
Authors: E. Prabhu Raman, Thomas J. Paul, Ryan L. Hayes, Charles L. Brooks - Journal of Chemical Theory and Computation 2020 cited by 78
- Constant pH Molecular Dynamics with Proton Tautomerism
Authors: Jana Khandogin, Charles L. Brooks - Biophysical Journal 2005 cited by 309
- Ligand Modulates Cross-Coupling between Riboswitch Folding and Transcriptional Pausing
Authors: Julia R. Widom, Yuri A. Nedialkov, Victoria Rai, Ryan L. Hayes, Charles L. Brooks, Irina Artsimovitch, Nils G. Walter - Molecular Cell 2018 cited by 85
- BLaDE: A Basic Lambda Dynamics Engine for GPU-Accelerated Molecular Dynamics Free Energy Calculations
Authors: Ryan L. Hayes, Joshua Buckner, Charles L. Brooks - Journal of Chemical Theory and Computation 2021 cited by 52
- Structural Basis for Selectivity in Flavin-Dependent Monooxygenase-Catalyzed Oxidative Dearomatization
Authors: Attabey Rodríguez Benítez, Sara E. Tweedy, Summer A. Baker Dockrey, April L. Lukowski, Troy Wymore, Dheeraj Khare, Charles L. Brooks, Bruce A. Palfey, Janet L. Smith, Alison R. H. Narayan - ACS Catalysis 2019 cited by 41
- Molecular Mechanisms of Prolactin and Its Receptor
Authors: Charles L. Brooks - Endocrine Reviews 2012 cited by 164
- Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism
Authors: Garrett B. Goh, Benjamin S. Hulbert, Huiqing Zhou, Charles L. Brooks - Proteins Structure Function and Bioinformatics 2013 cited by 131
- Adaptive Landscape Flattening Accelerates Sampling of Alchemical Space in Multisite λ Dynamics
Authors: Ryan L. Hayes, Kira A. Armacost, Jonah Z. Vilseck, Charles L. Brooks - The Journal of Physical Chemistry B 2017 cited by 78
