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300:, he was named the Colonel Allan R. and Margaret G. Crow Term Professor, 2009-2011, the University of Florida Research Foundation (UFRF) Professor, 2011-2013 and the Edmund H. Prominski Professor of Chemistry, 2011-2013. In 2013, Merz moved to
443:
A Second
Generation Force Field for the Simulation of Proteins, Nucleic Acids and Organic Molecules; W. D. Cornell; P. Cieplak; C. I. Bayly; I. R. Gould; K. M. Merz, Jr. D. M. Ferguson; D. C. Spellmeyer; T. Fox; J. W. Cladwell; P. A. Kollman
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and biology and computer-aided drug design (CADD). His group has been involved in developing the widely using AMBER suite of programs for simulating chemical and biological systems and the QUICK program for quantum chemical calculations.
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515:
Harnessing the Power of Multi-GPU Acceleration into the
Quantum Interaction Computational Kernel Program; M. Manathunga; C. Jin; V. Cruzeiro; Y. Miao; D. Mu; K. Arumugam; K. Keipert; H. M. Aktulga; K. M. Merz, Jr.; A. Goetz
308:
Departments. He was the director of the
Institute of Cyber-enabled Research (2013-2019) and is the Joseph Zichis Chair in Chemistry and a university distinguished professor. While his primary appointment is at
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Manathunga, Madushanka; Jin, Chi; Cruzeiro, Vinicius; Miao, Yipu; Mu, Dawei; Arumugam, Kamesh; Keipert, Kristopher; Aktulga, Hasan Metin; Kenneth M. Merz, Jr; Goetz, Andreas (2021-02-10).
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The Amber
Biomolecular Simulation Program; D. A. Case; T. E. Cheatham, III; T. Darden; H. Gohlke; R. Luo; K. M. Merz, Jr.; A. Onufriev; C. Simmerling; B. Wang; R. J. Woods
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Case, David A.; Cheatham, Thomas E.; Darden, Tom; Gohlke, Holger; Luo, Ray; Merz, Kenneth M.; Onufriev, Alexey; Simmerling, Carlos; Wang, Bing; Woods, Robert J. (2005).
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Free Energy
Perturbation Simulations of the Inhibition of Thermolysin: Prediction of the Free Energy of Binding of a New Inhibitor; K. M. Merz Jr. and P. A. Kollman
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to work in the biopharmaceutical industry (1998-2001) as the senior director of the Center for
Informatics and Drug Discovery (CIDD) at
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1234:"Free energy perturbation simulations of the inhibition of thermolysin: prediction of the free energy of binding of a new inhibitor"
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Open-source multi-GPU-accelerated QM/MM simulations with AMBER and QUICK; V. Cruzeiro; M. Manathunga; K. M. Merz, Jr.; A. W. Götz
378:
The
Protein Folding Problem and Tertiary Structure Prediction K. M. Merz, Jr.; S. M. LeGrand Eds.; Birkhaüser: Boston, MA, 1994.
185:
is an
American biochemist and molecular biologist currently the Joseph Zichis Chair and a distinguished university professor at
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refinement using QM methods; the AMBER suite of programs for biomolecular simulation; and the ab initio QM program QUICK.
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Structure-Based Drug Design D. Ringe; C. R. Reynolds; K. M. Merz, Jr., Eds.; Cambridge
University Press: Boston, MA, 2010
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Structure, Function and
Dynamics of Lipid Bilayers K. M. Merz, Jr.; B. Roux Eds.; Birkhaüser: Boston, MA, 1996.
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software division of Pharmacopeia. He also founded, in 2001, the software company QuantumBio, Inc located in
911:"Kenneth M. Merz, Jr., Ph.D., named new Editor-in-Chief of the Journal of Chemical Information and Modeling"
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1119:"A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules"
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Atomic Charges Derived from Semiempirical Methods; B. H. Besler, K. M. Merz, Jr., and P. A. Kollman
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Merz is known for his contributions to the use of linear-scaling quantum mechanical methods in
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Election as a fellow of the American Association for the Advancement of Science (1999).
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in the chemistry department and as part of the Quantum Theory Project. While he was at
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Using Quantum Mechanical Approaches to Study Biological Systems; K. M. Merz, Jr.
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and as the senior director of the ADMET Research and Development Group in the
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and where he graduated in 1981. In 1985, he received his Ph.D. from the
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Merz, Kenneth M. Jr; Ringe, Dagmar; Reynolds, Charles H., eds. (2010).
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ACS Award for Computers in Chemical and Pharmaceutical Research (2010).
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Metal Ion Modeling Using Classical Mechanics; P. Li; K. M. Merz, Jr.
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199:. A highly cited expert in his field, his research interests are in
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may have been created or edited in return for undisclosed payments
1046:"Using Quantum Mechanical Approaches to Study Biological Systems"
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University of Texas at Austin College of Natural Sciences alumni
719:"Prof. Kenneth Merz - Georgia Tech Chemistry & Biochemistry"
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Besler, Brent H.; Merz, Kenneth M.; Kollman, Peter A. (1990).
18:
937:
The Protein Folding Problem and Tertiary Structure Prediction
807:"SELECTBIO - Discovery Chemistry Congress Speaker Biography"
248:
from 1987 to 1989, he started his academic career at the
365:; atomic point charges; free energy studies and NMR and
836:"Kenneth Merz named Joseph Zichis Chair in Chemistry"
304:
as a professor in the Chemistry and Biochemistry and
40:. It may require cleanup to comply with Knowledge's
1187:"Atomic charges derived from semiempirical methods"
997:"Alumnus Kenneth M. Merz, Jr., Wins 2010 ACS Award"
964:
Drug Design: Structure- and Ligand-Based Approaches
884:"Alumnus Kenneth M. Merz, Jr., Wins 2010 ACS Award"
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University of California, San Francisco (1987–1989)
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1232:Merz, Kenneth M.; Kollman, Peter A. (1989-07-01).
860:"Quantum Theory Project - University of Florida"
934:Merz, Kenneth; LeGrand, Scott M., eds. (1994).
1138:"Metal Ion Modeling Using Classical Mechanics"
313:, he has also held visiting Professorships at
406:John Simon Guggenheim Fellowship (1996-1997).
107:The University of Texas at Austin (1981–1985)
8:
1273:"The Amber biomolecular simulation programs"
272:in 1996 and professor in 1998. While at the
260:Merz joined the chemistry department at the
196:Journal of Chemical Information and Modeling
400:Alumni Citation, Washington College (2011).
216:, on January 24, 1959. His family moved to
16:American biochemist and molecular biologist
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1136:Li, Pengfei; Merz, Kenneth (2017-01-03).
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967:. Cambridge: Cambridge University Press.
151:Pennsylvania State University (1989–2005)
1238:Journal of the American Chemical Society
1123:Journal of the American Chemical Society
357:; QM/MM methods; force field design for
292:. In 2005, he joined the faculty at the
159:Michigan State University (2013–present)
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240:. After postdoctoral appointments with
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774:"Class of 1977 - Harriton High School"
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1416:Michigan State University faculty
394:Election as an ACS Fellow (2010).
155:University of Florida (2005–2013)
1117:Ferguson, David (January 1995).
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268:in 1989. He was promoted to an
228:at the undergraduate level at
112:Cornell University (1986–1987)
103:Washington College (1977–1981)
1:
1338:10.26434/chemrxiv.13769209.v1
1050:Accounts of Chemical Research
274:Pennsylvania State University
262:Pennsylvania State University
250:Pennsylvania State University
234:University of Texas at Austin
36:, a violation of Knowledge's
1044:Merz, Kenneth (2014-06-06).
750:"MSU Scholar - Kenneth Merz"
1154:10.1021/acs.chemrev.6b00440
573:. acs.org. November 7, 2013
290:State College, Pennsylvania
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220:, where he graduated from
1401:Washington College alumni
915:American Chemical Society
311:Michigan State University
302:Michigan State University
236:under the supervision of
191:American Chemical Society
187:Michigan State University
176:
121:
973:10.1017/CBO9780511730412
331:University of Strasbourg
208:Education and early life
518:J. Chem. Theory Comput.
355:pharmaceutical sciences
214:Niagara Falls, New York
201:computational chemistry
189:and editor-in-chief of
89:Niagara Falls, New York
1421:Computational chemists
1353:Cite journal requires
1025:washcoll.livewhale.net
327:University of Florence
244:from 1986 to 1987 and
224:in 1977. Merz studied
218:Gladwyne, Pennsylvania
1203:10.1002/jcc.540110404
811:selectbiosciences.com
551:www.chemistry.msu.edu
411:Selected publications
298:University of Florida
294:University of Florida
46:neutral point of view
1411:American biochemists
940:. Birkhäuser Basel.
723:chemistry.gatech.edu
671:"Kenneth M. Merz Jr"
335:University of Oviedo
222:Harriton High School
1250:10.1021/ja00197a022
1021:"Commencement 2011"
323:École Polytechnique
270:associate professor
266:assistant professor
183:Kenneth M. Merz Jr.
68:Kenneth M. Merz Jr.
431:J. Chem Inf. Model
282:Pharmacopeia, Inc.
230:Washington College
1289:10.1002/jcc.20290
1283:(16): 1668–1688.
1244:(15): 5649–5658.
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982:978-0-521-88723-6
947:978-1-4684-6833-5
692:"Kenneth M. Merz"
620:"Editor-in-Chief"
489:J. Am. Chem. Soc.
446:J. Am. Chem. Soc.
306:Molecular Biology
212:Merz was born in
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141:Quantum Chemistry
137:Molecular Biology
123:Scientific career
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147:Institutions
133:Biochemistry
122:
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38:terms of use
33:
1426:1959 births
651:cen.acs.org
1390:Categories
1103:2021-06-28
1030:2021-06-28
1006:2021-06-28
920:2021-06-28
893:2021-06-28
869:2021-06-28
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629:2021-06-28
556:2021-06-28
528:References
484:, 431-439.
351:biological
339:ETH Zurich
278:sabbatical
276:he took a
1297:0192-8651
1258:0002-7863
1211:1096-987X
694:. msu.edu
226:chemistry
99:Education
53:July 2021
1315:16200636
1219:98010849
1172:28045509
1080:25099338
359:proteins
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