Charles L. Brooks III

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Michael FeigMichigan State UniversityVerified email at msu.edu
Wonpil ImPresidential Endowed Chair and Professor of Biological Sciences and Chemistry, Lehigh UniversityVerified email at lehigh.edu
Douglas TobiasDepartment of Chemistry, UC IrvineVerified email at uci.edu
Garrett B. GohML Applied Sciences ManagerVerified email at microsoft.com
Karunesh AroraData Science Manager at Ford Motor CompanyVerified email at nyu.edu
Sandeep Patel, Ph.D.University of Delaware Department of Chemistry/BiochemistryVerified email at udel.edu
John E. JohnsonThe Scripps Research InstituteVerified email at scripps.edu
John KaranicolasMolecular Therapeutics Program, Fox Chase Cancer CenterVerified email at fccc.edu
Anthony MustoeAssistant Professor, Baylor College of MedicineVerified email at bcm.edu
Zhan Chenuniversity of MichiganVerified email at umich.edu
Jonathan HirstProfessor of Computational Chemistry, University of NottinghamVerified email at nottingham.ac.uk
Michela TauferJack Dongarra Professor in High Performance Computing, The University of TennesseeVerified email at acm.org
Jose OnuchicCTBP Rice UniversityVerified email at rice.edu
Andrzej KolinskiProfessor, University of WarsawVerified email at chem.uw.edu.pl
Michael LeeU.S. Army Research LaboratoryVerified email at mail.mil
Jeffrey SkolnickGeorgia Institute of TechnologyVerified email at gatech.edu
Alex DicksonAssociate Professor, Department of Biochemistry & Molecular Biology, Michigan State UniversityVerified email at msu.edu
Michael F CrowleyPrincipal Scientist, National Renewable Energy LaboratoryVerified email at nrel.gov
Eric R MayAssociate Professor, University of ConnecticutVerified email at uconn.edu
Sean M. LawPrincipal Data Scientist, R&D - Charles SchwabVerified email at schwab.com

Charles L. Brooks III

Cyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/Parke

Verified email at umich.edu - Homepage

Computational and theoretical chemistry and biophysics


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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	8035	2009
Extending the treatment of backbone energetics in protein force fields: Limitations of gas‐phase quantum mechanics in reproducing protein conformational distributions in … AD Mackerell Jr, M Feig, CL Brooks III Journal of computational chemistry 25 (11), 1400-1415, 2004	3690	2004
CHARMM-GUI input generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM simulations using the CHARMM36 additive force field J Lee, X Cheng, S Jo, AD MacKerell, JB Klauda, W Im Biophysical journal 110 (3), 641a, 2016	2434	2016
Detailed analysis of grid‐based molecular docking: A case study of CDOCKER—A CHARMm‐based MD docking algorithm G Wu, DH Robertson, CL Brooks III, M Vieth Journal of computational chemistry 24 (13), 1549-1562, 2003	1475	2003
A modified TIP3P water potential for simulation with Ewald summation DJ Price, CL Brooks III The Journal of chemical physics 121 (20), 10096-10103, 2004	1144	2004
Improved treatment of the protein backbone in empirical force fields AD MacKerell Jr, M Feig, CL Brooks Journal of the American Chemical Society 126 (3), 698-699, 2004	1026	2004
MMTSB Tool Set: enhanced sampling and multiscale modeling methods for applications in structural biology M Feig, J Karanicolas, CL Brooks III Journal of Molecular Graphics and Modelling 22 (5), 377-395, 2004	947	2004
CHARMM: the energy function and its parameterization AD MacKerell Jr, B Brooks, CL Brooks III, L Nilsson, B Roux, Y Won, ... Encyclopedia of computational chemistry 1, 2002	909*	2002
Generalized born model with a simple smoothing function W Im, MS Lee, CL Brooks III Journal of computational chemistry 24 (14), 1691-1702, 2003	762	2003
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures M Feig, A Onufriev, MS Lee, W Im, DA Case, CL Brooks III Journal of computational chemistry 25 (2), 265-284, 2004	696	2004
Recent advances in the development and application of implicit solvent models in biomolecule simulations M Feig, CL Brooks III Current opinion in structural biology 14 (2), 217-224, 2004	679	2004
Deformable stochastic boundaries in molecular dynamics CL Brooks Iii, M Karplus The Journal of chemical physics 79 (12), 6312-6325, 1983	618	1983
FROM FOLDING THEORIES TO FOLDING PROTEINS: A Review and Assessment of Simulation Studies of Protein Folding and Unfolding JE Shea, CL Brooks III Annual review of physical chemistry 52 (1), 499-535, 2001	612	2001
Assessing scoring functions for protein− ligand interactions P Ferrara, H Gohlke, DJ Price, G Klebe, CL Brooks Journal of medicinal chemistry 47 (12), 3032-3047, 2004	588	2004
New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations MS Lee, M Feig, FR Salsbury Jr, CL Brooks III Journal of computational chemistry 24 (11), 1348-1356, 2003	582	2003
CHARMM fluctuating charge force field for proteins: I parameterization and application to bulk organic liquid simulations S Patel, CL Brooks III Journal of computational chemistry 25 (1), 1-16, 2004	554	2004
Novel generalized Born methods MS Lee, FR Salsbury Jr, CL Brooks III The Journal of Chemical Physics 116 (24), 10606-10614, 2002	543	2002
CHARMM fluctuating charge force field for proteins: II protein/solvent properties from molecular dynamics simulations using a nonadditive electrostatic model S Patel, AD Mackerell Jr, CL Brooks III Journal of computational chemistry 25 (12), 1504-1514, 2004	526	2004
Solvent effects on protein motion and protein effects on solvent motion: dynamics of the active site region of lysozyme CL Brooks III, M Karplus Journal of molecular biology 208 (1), 159-181, 1989	505	1989
Stochastic boundary conditions for molecular dynamics simulations of ST2 water A Brünger, CL Brooks III, M Karplus Chemical physics letters 105 (5), 495-500, 1984	493	1984

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