| 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 | 8818 | 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 | 3804 | 2004 |
| 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 | 1575 | 2003 |
| 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 | 1328* | 2002 |
| 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 | 1322 | 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 | 1081 | 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 | 964 | 2004 |
| Generalized born model with a simple smoothing function W Im, MS Lee, CL Brooks III Journal of computational chemistry 24 (14), 1691-1702, 2003 | 787 | 2003 |
| 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 | 736 | 1984 |
| 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 | 728 | 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 | 707 | 2004 |
| 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 | 627 | 2001 |
| Deformable stochastic boundaries in molecular dynamics CL Brooks Iii, M Karplus The Journal of chemical physics 79 (12), 6312-6325, 1983 | 625 | 1983 |
| 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 | 610 | 2003 |
| 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 | 603 | 2004 |
| 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 | 573 | 2004 |
| Novel generalized Born methods MS Lee, FR Salsbury Jr, CL Brooks III The Journal of chemical physics 116 (24), 10606-10614, 2002 | 560 | 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 | 543 | 2004 |
| 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 | 507 | 2003 |
| 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 | 507 | 1989 |
Michael FeigMichigan State University在 msu.edu 的电子邮件经过验证
