Kenneth M. Merz Jr.
Kenneth M. Merz Jr.
Joseph Zichis Chair in Chemistry, Michigan State University
Verified email at - Homepage
Cited by
Cited by
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
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
Atomic charges derived from semiempirical methods
BH Besler, KM Merz Jr, PA Kollman
Journal of Computational Chemistry 11 (4), 431-439, 1990
Prediction of drug absorption using multivariate statistics
WJ Egan, KM Merz, JJ Baldwin
Journal of medicinal chemistry 43 (21), 3867-3877, 2000
Combined quantum mechanical/molecular mechanical methodologies applied to biomolecular systems
G Monard, KM Merz
Accounts of chemical research 32 (10), 904-911, 1999
01; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT, 2009
Critical assessment of the performance of density functional methods for several atomic and molecular properties
KE Riley, BT Op't Holt, KM Merz
Journal of chemical theory and computation 3 (2), 407-433, 2007
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
Semiempirical molecular orbital calculations with linear system size scaling
SL Dixon, KM Merz Jr
The Journal of chemical physics 104 (17), 6643-6649, 1996
d10-d10 Interactions: multinuclear copper (I) complexes
KM Merz Jr, R Hoffmann
Inorganic Chemistry 27 (12), 2120-2127, 1988
AMBER 10; University of California: San Francisco, 2008
DA Case, TA Darden, TE Cheatham III, CL Simmerling, J Wang, RE Duke, ...
There is no corresponding record for this reference.[Google Scholar], 1996
Force field design for metalloproteins
SC Hoops, KW Anderson, KM Merz Jr
Journal of the American Chemical Society 113 (22), 8262-8270, 1991
High throughput docking for library design and library prioritization
DJ Diller, KM Merz Jr
Proteins: Structure, Function, and Bioinformatics 43 (2), 113-124, 2001
Structural survey of zinc-containing proteins and development of the zinc AMBER force field (ZAFF)
MB Peters, Y Yang, B Wang, L Füsti-Molnár, MN Weaver, KM Merz Jr
Journal of chemical theory and computation 6 (9), 2935-2947, 2010
The role of quantum mechanics in structure-based drug design
K Raha, MB Peters, B Wang, N Yu, AM Wollacott, LM Westerhoff, ...
Drug Discovery Today 12 (17-18), 725-731, 2007
Fast, accurate semiempirical molecular orbital calculations for macromolecules
SL Dixon, KM Merz Jr
The Journal of chemical physics 107 (3), 879-893, 1997
Prediction of aqueous solubility of a diverse set of compounds using quantitative structure− property relationships
A Cheng, KM Merz
Journal of medicinal chemistry 46 (17), 3572-3580, 2003
Biological membranes: A molecular perspective from computation and experiment
KM Merz, B Roux
Springer Science & Business Media, 2012
Large-scale validation of a quantum mechanics based scoring function: predicting the binding affinity and the binding mode of a diverse set of protein− ligand complexes
K Raha, KM Merz
Journal of medicinal chemistry 48 (14), 4558-4575, 2005
Ferguson DM, Spellmeyer DC, Fox T, Caldwell JW, Kollman PA
WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz Jr
J. Am. Chem. Soc 117 (5179), 6, 1995
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