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Kenneth M. Merz Jr.
Kenneth M. Merz Jr.
University Distinguished Professor and Joseph Zichis Chair in Chemistry, Michigan State University
Verifierad e-postadress på msu.edu - Startsida
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Gaussian 16
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Inc., 2016
209352016
Gaussian 98, revision a. 7, Gaussian
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Inc., Pittsburgh, PA 12, 1998
166541998
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
160111995
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
95582005
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
95582005
Amber 10
DA Case, TA Darden, TE Cheatham, CL Simmerling, J Wang, RE Duke, ...
University of California, 2008
88592008
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
6767*2009
AMBER 21
DA Case, J Berryman, RM Betz, DS Cerutti, TE Cheatham Iii, TA Darden, ...
University of California, 2021
5110*2021
Atomic charges derived from semiempirical methods
BH Bessler, KM Merz Jr, PA Kollman
J. Comput. Chem 11 (4), 431-439, 1990
37331990
AMBER 9
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
University of California, San Francisco 45, 2006
34722006
Gaussian Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford Ct 2009, 2009
32842009
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
15952000
Gaussian 09, version D. 01
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian, Wallingford, 2009
653*2009
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
6492013
Gaussian, Inc., Wallingford CT
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Gaussian 09 (Revision A. 02), 2009
5732009
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
5292008
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
4822016
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
4492010
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Artiklar 1–20