David A Case

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106 件の論文

5 件の論文

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Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of Utah確認したメールアドレス: utah.edu
Louis NoodlemanProfessor Emeritus, Structural and Computational Biology, The Scripps Research Institute確認したメールアドレス: scripps.edu
Alexey OnufrievVirginia Tech確認したメールアドレス: vt.edu
Carlos SimmerlingMarsha Laufer Chair in Physical & Quantitative Biology, SUNY Stony Brook確認したメールアドレス: stonybrook.edu
Ray LuoMol Bio & Biochem; Chem & Mater Phys; Chem & Biomol Engr; Biomed Engr; Mater Sci & Engr確認したメールアドレス: uci.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State University確認したメールアドレス: msu.edu
Holger GohlkeProfessor, Heinrich Heine University Düsseldorf & Director, Forschungszentrum Jülich確認したメールアドレス: uni-duesseldorf.de
Ross C Walker確認したメールアドレス: sdsc.edu
Wei WangProfesor of School of Medical Sciences, Edith Cowan University確認したメールアドレス: ecu.edu.au
David A PearlmanQSimulate確認したメールアドレス: alumni.stanford.edu
Lillian T. ChongProfessor of Chemistry, University of Pittsburgh確認したメールアドレス: pitt.edu
David CeruttiRutgers確認したメールアドレス: rutgers.edu
Robert J. WoodsProfessor of Biochemistry and Molecular Biology確認したメールアドレス: ccrc.uga.edu
Junmei WangProfessor of computational chemistry/biology, School of Pharmacy, University of Pittsburgh確認したメールアドレス: pitt.edu
Taisung LeeRutgers University確認したメールアドレス: rutgers.edu
Tyler LuchkoCalifornia State University, Northridge確認したメールアドレス: csun.edu
Walter ChazinChancellor's Chair in Medicine, Departments of Biochemistry and Chemistry, Vanderbilt University確認したメールアドレス: vanderbilt.edu
Darrin M. YorkHenry Rutgers University Professor, Rutgers University確認したメールアドレス: rutgers.edu
Robert C. RizzoProfessor, Stony Brook University確認したメールアドレス: stonybrook.edu
Charles L. Brooks IIICyrus Levinthal Distinguished University Professor of Chemistry and Biophysics; Warner-Lambert/Parke確認したメールアドレス: umich.edu

フォロー

David A Case

Rutgers University

確認したメールアドレス: biomaps.rutgers.edu - ホームページ

Department of Chemistry and Chemical Biology


タイトル引用回数順公開年順タイトル順	引用先引用先	年
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	26986*	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	18839	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	6470	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	5569	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	5245	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	4524	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	3542	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	2725	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	2656	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	1949	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	1319	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	1248	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	1214	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	989	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	987	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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