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Kenneth M. Merz Jr.
Kenneth M. Merz Jr.
University Distinguished Professor and Joseph Zichis Chair in Chemistry, Michigan State University
Dirección de correo verificada de msu.edu - Página principal
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Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
210892016
Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
166571998
A second generation force field for the simulation of proteins, nucleic acids, and organic molecules
WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz, DM Ferguson, ...
Journal of the American Chemical Society 117 (19), 5179-5197, 1995
161811995
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
95922005
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
95922005
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
88582008
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
6780*2009
AMBER 21
DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ...
University of California, 2021
5177*2021
Atomic charges derived from semiempirical methods
BH Bessler, KM Merz Jr, PA Kollman
J. Comput. Chem 11 (4), 431-439, 1990
37381990
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
34732006
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
32902009
Gaussian 03 rev. E. 01
MJ Frisch
http://www. gaussian. com/, 2004
26752004
Prediction of drug absorption using multivariate statistics
WJ Egan, KM Merz, JJ Baldwin
Journal of medicinal chemistry 43 (21), 3867-3877, 2000
16102000
Rational design of particle mesh Ewald compatible Lennard-Jones parameters for+ 2 metal cations in explicit solvent
P Li, BP Roberts, DK Chakravorty, KM Merz Jr
Journal of chemical theory and computation 9 (6), 2733-2748, 2013
6552013
Gaussian 09, version D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Wallingford, 2009
611*2009
Gaussian, Inc., Wallingford CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 09 (Revision A. 02), 2009
5752009
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
5282008
AMBER 9; University of California: San Francisco, 2006
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference.[Google Scholar], 9-174, 2014
4952014
MCPB. py: A python based metal center parameter builder
P Li, KM Merz Jr
Journal of chemical information and modeling 56 (4), 599-604, 2016
4842016
Structural survey of zinc-containing proteins and development of the zinc AMBER force field (ZAFF)
MB Peters, Y Yang, B Wang, L Fusti-Molnar, MN Weaver, KM Merz Jr
Journal of chemical theory and computation 6 (9), 2935-2947, 2010
4522010
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Artículos 1–20