AMBER 4.1 DA Case, JW Caldwell, WS Ross, TE Cheatham III, DM Ferguson, ... Department of Pharmaceutical Chemistry, University of California: San …, 1995 | 27199* | 1995 |
PTRAJ and CPPTRAJ: software for processing and analysis of molecular dynamics trajectory data DR Roe, TE Cheatham III Journal of chemical theory and computation 9 (7), 3084-3095, 2013 | 6336 | 2013 |
Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models PA Kollman, I Massova, C Reyes, B Kuhn, S Huo, L Chong, M Lee, T Lee, ... Accounts of chemical research 33 (12), 889-897, 2000 | 5186 | 2000 |
AMBER, a package of computer programs for applying molecular mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structural and … DA Pearlman, DA Case, JW Caldwell, WS Ross, TE Cheatham III, ... Computer Physics Communications 91 (1-3), 1-41, 1995 | 3824 | 1995 |
Determination of alkali and halide monovalent ion parameters for use in explicitly solvated biomolecular simulations IS Joung, TE Cheatham III The journal of physical chemistry B 112 (30), 9020-9041, 2008 | 3468 | 2008 |
Refinement of the AMBER force field for nucleic acids: improving the description of α/γ conformers A Pérez, I Marchán, D Svozil, J Sponer, TE Cheatham, CA Laughton, ... Biophysical journal 92 (11), 3817-3829, 2007 | 2449 | 2007 |
Continuum solvent studies of the stability of DNA, RNA, and phosphoramidate− DNA helices J Srinivasan, TE Cheatham, P Cieplak, PA Kollman, DA Case Journal of the American Chemical Society 120 (37), 9401-9409, 1998 | 1923 | 1998 |
A modified version of the Cornell et al. force field with improved sugar pucker phases and helical repeat. TE Cheatham 3rd, P Cieplak, PA Kollman Journal of biomolecular structure & dynamics 16 (4), 845, 1999 | 1109 | 1999 |
Refinement of the Cornell et al. nucleic acids force field based on reference quantum chemical calculations of glycosidic torsion profiles M Zgarbová, M Otyepka, J Sponer, A Mladek, P Banas, TE Cheatham III, ... Journal of chemical theory and computation 7 (9), 2886-2902, 2011 | 1025 | 2011 |
Molecular dynamics simulations on solvated biomolecular systems: the particle mesh Ewald method leads to stable trajectories of DNA, RNA, and proteins TEIII Cheatham, JL Miller, T Fox, TA Darden, PA Kollman Journal of the American Chemical Society 117 (14), 4193-4194, 1995 | 1016 | 1995 |
Clustering molecular dynamics trajectories: 1. Characterizing the performance of different clustering algorithms J Shao, SW Tanner, N Thompson, TE Cheatham Journal of chemical theory and computation 3 (6), 2312-2334, 2007 | 926 | 2007 |
AMBER 4.1 DA Pearlman, DA Case, JW Caldwell, WS Ross, TE Cheatham III, ... University of California, San Francisco 45, 1995 | 719 | 1995 |
Molecular dynamics simulations of the dynamic and energetic properties of alkali and halide ions using water-model-specific ion parameters IS Joung, TE Cheatham III The Journal of Physical Chemistry B 113 (40), 13279-13290, 2009 | 609 | 2009 |
Encyclopedia of computational chemistry PR Schleyer (No Title), 1998 | 597 | 1998 |
Refinement of the sugar–phosphate backbone torsion beta for AMBER force fields improves the description of Z-and B-DNA M Zgarbová, J Sponer, M Otyepka, TE Cheatham III, R Galindo-Murillo, ... Journal of chemical theory and computation 11 (12), 5723-5736, 2015 | 511 | 2015 |
AMBER 10; University of California: San Francisco, 2008 DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ... Google Scholar There is no corresponding record for this reference, 2008 | 508 | 2008 |
The flying ice cube: velocity rescaling in molecular dynamics leads to violation of energy equipartition SC Harvey, RKZ Tan, TE Cheatham III Journal of computational chemistry 19 (7), 726-740, 1998 | 487 | 1998 |
Assessing the current state of amber force field modifications for DNA R Galindo-Murillo, JC Robertson, M Zgarbova, J Sponer, M Otyepka, ... Journal of chemical theory and computation 12 (8), 4114-4127, 2016 | 465 | 2016 |
Molecular dynamics simulation of nucleic acids PA Kollman, TE Cheatham III Annu. Rev. Phys. Chem 51, 435-471, 2000 | 454* | 2000 |
Molecular dynamics simulation of nucleic acids: successes, limitations, and promise TE Cheatham III, MA Young Biopolymers: Original Research on Biomolecules 56 (4), 232-256, 2000 | 450 | 2000 |