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Charles L. Brooks III
Charles L. Brooks III
Cyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/Parke
Bestätigte E-Mail-Adresse bei umich.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
93622009
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
38872004
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
16362003
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
14522004
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
1336*2002
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
11202004
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
9782004
Generalized born model with a simple smoothing function
W Im, MS Lee, CL Brooks III
Journal of computational chemistry 24 (14), 1691-1702, 2003
7992003
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
7531984
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
7482004
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
7142004
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
6342001
Deformable stochastic boundaries in molecular dynamics
CL Brooks Iii, M Karplus
The Journal of chemical physics 79 (12), 6312-6325, 1983
6321983
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
6212003
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
6112004
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
5852004
Novel generalized Born methods
MS Lee, FR Salsbury Jr, CL Brooks III
The Journal of chemical physics 116 (24), 10606-10614, 2002
5672002
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
5562004
Comparative study of several algorithms for flexible ligand docking
BD Bursulaya, M Totrov, R Abagyan, CL Brooks
Journal of computer-aided molecular design 17, 755-763, 2003
5232003
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
5121989
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