David A Case

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Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahVerificeret mail på utah.edu
Louis NoodlemanProfessor Emeritus, Structural and Computational Biology, The Scripps Research InstituteVerificeret mail på scripps.edu
Alexey OnufrievVirginia TechVerificeret mail på vt.edu
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookVerificeret mail på stonybrook.edu
Ray LuoMolecular Biology and Biochemistry, Biomedical Engineering, and Chemical and BiomolecularVerificeret mail på uci.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityVerificeret mail på msu.edu
Holger GohlkeProfessor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum JülichVerificeret mail på uni-duesseldorf.de
Ross C WalkerVerificeret mail på sdsc.edu
Wei WangProfesor of School of Medical Sciences, Edith Cowan UniversityVerificeret mail på ecu.edu.au
David A PearlmanQSimulateVerificeret mail på alumni.stanford.edu
Lillian T. ChongProfessor of Chemistry, University of PittsburghVerificeret mail på pitt.edu
David CeruttiRutgersVerificeret mail på rutgers.edu
Robert J. WoodsProfessor of Biochemistry and Molecular BiologyVerificeret mail på ccrc.uga.edu
Junmei WangProfessor of computational chemistry/biology, School of Pharmacy, University of PittsburghVerificeret mail på pitt.edu
Taisung LeeRutgers UniversityVerificeret mail på rutgers.edu
Tyler LuchkoCalifornia State University, NorthridgeVerificeret mail på csun.edu
Walter ChazinChancellor's Chair in Medicine, Departments of Biochemistry and Chemistry, Vanderbilt UniversityVerificeret mail på vanderbilt.edu
Darrin M. YorkHenry Rutgers University Professor, Rutgers UniversityVerificeret mail på rutgers.edu
Robert C. RizzoProfessor, Stony Brook UniversityVerificeret mail på stonybrook.edu
Charles L. Brooks IIICyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/ParkeVerificeret mail på umich.edu

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David A Case

Rutgers University

Verificeret mail på biomaps.rutgers.edu - Startside

Department of Chemistry and Chemical Biology


Titel Sortér efter henvisninger Sortér efter årstal Sortér efter titel	Citeret af Citeret af	År
The Amber biomolecular simulation programs DA Case, TE Cheatham III, T Darden, H Gohlke, R Luo, KM Merz Jr, ... Journal of computational chemistry 26 (16), 1668-1688, 2005	26683*	2005
Development and testing of a general amber force field J Wang, RM Wolf, JW Caldwell, PA Kollman, DA Case Journal of computational chemistry 25 (9), 1157-1174, 2004	18465	2004
A new force field for molecular mechanical simulation of nucleic acids and proteins SJ Weiner, PA Kollman, DA Case, UC Singh, C Ghio, G Alagona, ... Journal of the American Chemical Society 106 (3), 765-784, 1984	6445	1984
Automatic atom type and bond type perception in molecular mechanical calculations J Wang, W Wang, PA Kollman, DA Case Journal of molecular graphics and modelling 25 (2), 247-260, 2006	5477	2006
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	5193	2000
An all atom force field for simulations of proteins and nucleic acids SJ Weiner, PA Kollman, DT Nguyen, DA Case Journal of computational chemistry 7 (2), 230-252, 1986	4513	1986
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
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	3393	2016
Exploring protein native states and large‐scale conformational changes with a modified generalized born model A Onufriev, D Bashford, DA Case Proteins: Structure, Function, and Bioinformatics 55 (2), 383-394, 2004	2693	2004
Force fields for protein simulations JW Ponder, DA Case Advances in protein chemistry 66, 27-85, 2003	2598	2003
An overview of the Amber biomolecular simulation package R Salomon‐Ferrer, DA Case, RC Walker Wiley Interdisciplinary Reviews: Computational Molecular Science 3 (2), 198-210, 2013	2589	2013
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	1924	1998
Generalized born models of macromolecular solvation effects D Bashford, DA Case Annual review of physical chemistry 51 (1), 129-152, 2000	1452	2000
Insights into protein–protein binding by binding free energy calculation and free energy decomposition for the Ras–Raf and Ras–RalGDS complexes H Gohlke, C Kiel, DA Case Journal of molecular biology 330 (4), 891-913, 2003	1312	2003
Modification of the generalized Born model suitable for macromolecules A Onufriev, D Bashford, DA Case The Journal of Physical Chemistry B 104 (15), 3712-3720, 2000	1240	2000
Theory and applications of the generalized Born solvation model in macromolecular simulations V Tsui, DA Case Biopolymers: Original Research on Biomolecules 56 (4), 275-291, 2000	1204	2000
Converging free energy estimates: MM‐PB (GB) SA studies on the protein–protein complex Ras–Raf H Gohlke, DA Case Journal of computational chemistry 25 (2), 238-250, 2004	972	2004
Parmbsc1: a refined force field for DNA simulations I Ivani, PD Dans, A Noy, A Pérez, I Faustino, A Hospital, J Walther, ... Nature methods 13 (1), 55-58, 2016	966	2016
Orbital interactions, electron delocalization and spin coupling in iron-sulfur clusters L Noodleman, CY Peng, DA Case, JM Mouesca Coordination Chemistry Reviews 144, 199-244, 1995	959	1995
Three-dimensional solution structure of a single zinc finger DNA-binding domain MS Lee, GP Gippert, KV Soman, DA Case, PE Wright Science 245 (4918), 635-637, 1989	909	1989

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