David A Case

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Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahE-mailová adresa ověřena na: utah.edu
Louis NoodlemanProfessor Emeritus, Structural and Computational Biology, The Scripps Research InstituteE-mailová adresa ověřena na: scripps.edu
Alexey OnufrievVirginia TechE-mailová adresa ověřena na: vt.edu
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony BrookE-mailová adresa ověřena na: stonybrook.edu
Ray LuoMol Bio & Biochem; Chem & Mater Phys; Chem & Biomol Engr; Biomed Engr; Mater Sci & EngrE-mailová adresa ověřena na: uci.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityE-mailová adresa ověřena na: msu.edu
Holger GohlkeProfessor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum JülichE-mailová adresa ověřena na: uni-duesseldorf.de
Ross C WalkerE-mailová adresa ověřena na: sdsc.edu
Wei WangProfesor of School of Medical Sciences, Edith Cowan UniversityE-mailová adresa ověřena na: ecu.edu.au
David A PearlmanQSimulateE-mailová adresa ověřena na: alumni.stanford.edu
Lillian T. ChongProfessor of Chemistry, University of PittsburghE-mailová adresa ověřena na: pitt.edu
David CeruttiRutgersE-mailová adresa ověřena na: rutgers.edu
Robert J. WoodsProfessor of Biochemistry and Molecular BiologyE-mailová adresa ověřena na: ccrc.uga.edu
Junmei WangProfessor of computational chemistry/biology, School of Pharmacy, University of PittsburghE-mailová adresa ověřena na: pitt.edu
Taisung LeeRutgers UniversityE-mailová adresa ověřena na: rutgers.edu
Tyler LuchkoCalifornia State University, NorthridgeE-mailová adresa ověřena na: csun.edu
Walter ChazinChancellor's Chair in Medicine, Departments of Biochemistry and Chemistry, Vanderbilt UniversityE-mailová adresa ověřena na: vanderbilt.edu
Darrin M. YorkHenry Rutgers University Professor, Rutgers UniversityE-mailová adresa ověřena na: rutgers.edu
Robert C. RizzoProfessor, Stony Brook UniversityE-mailová adresa ověřena na: stonybrook.edu
Charles L. Brooks IIICyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/ParkeE-mailová adresa ověřena na: umich.edu

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David A Case

Rutgers University

E-mailová adresa ověřena na: biomaps.rutgers.edu - Domovská stránka

Department of Chemistry and Chemical Biology


Název Seřadit podle citací Seřadit podle roku Seřadit podle názvu	Citace Citace	Rok
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	27029*	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	18885	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	6471	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	5580	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	5254	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	4525	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	3842	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	3561	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	2731	2004
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	2664	2013
Force fields for protein simulations JW Ponder, DA Case Advances in protein chemistry 66, 27-85, 2003	2617	2003
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	1952	1998
Generalized born models of macromolecular solvation effects D Bashford, DA Case Annual review of physical chemistry 51 (1), 129-152, 2000	1459	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	1321	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	1249	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	1215	2000
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	991	2016
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	988	2004
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	964	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	911	1989

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