Kenneth M. Merz Jr.
Kenneth M. Merz Jr.
Joseph Zichis Chair in Chemistry, Michigan State University
Verified email at msu.edu - Homepage
Title
Cited by
Cited by
Year
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
16566*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
138821995
Atomic charges derived from semiempirical methods
BH Besler, KM Merz Jr, PA Kollman
Journal of Computational Chemistry 11 (4), 431-439, 1990
30741990
Prediction of drug absorption using multivariate statistics
WJ Egan, KM Merz, JJ Baldwin
Journal of medicinal chemistry 43 (21), 3867-3877, 2000
6052000
Combined quantum mechanical/molecular mechanical methodologies applied to biomolecular systems
G Monard, KM Merz
Accounts of chemical research 32 (10), 904-911, 1999
3891999
01; Gaussian, Inc
MJ Frisch, GW Trucks, HB Schlegel, GE Scuseria, MA Robb, ...
Wallingford, CT, 2009
382*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
3152007
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
3032013
Semiempirical molecular orbital calculations with linear system size scaling
SL Dixon, KM Merz Jr
The Journal of chemical physics 104 (17), 6643-6649, 1996
2941996
d10-d10 Interactions: multinuclear copper (I) complexes
KM Merz Jr, R Hoffmann
Inorganic Chemistry 27 (12), 2120-2127, 1988
2931988
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
2791996
Force field design for metalloproteins
SC Hoops, KW Anderson, KM Merz Jr
Journal of the American Chemical Society 113 (22), 8262-8270, 1991
2751991
High throughput docking for library design and library prioritization
DJ Diller, KM Merz Jr
Proteins: Structure, Function, and Bioinformatics 43 (2), 113-124, 2001
2452001
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
2412010
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
2322007
Fast, accurate semiempirical molecular orbital calculations for macromolecules
SL Dixon, KM Merz Jr
The Journal of chemical physics 107 (3), 879-893, 1997
2301997
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
2292003
Biological membranes: A molecular perspective from computation and experiment
KM Merz, B Roux
Springer Science & Business Media, 2012
2252012
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
2022005
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
1901995
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