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Kenneth M. Merz Jr.

December 19, 2023

Kenneth M. Merz Jr. is an American biochemist and molecular biologist currently the Joseph Zichis Chair and a distinguished university professor at Michigan State University and editor-in-chief of American Chemical Society's Journal of Chemical Information and Modeling.[1][2][3][4][5] A highly cited expert in his field,[6] his research interests are in computational chemistry and biology and computer-aided drug design (CADD).[7][4] 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.[8][9]

Education and early life edit

Merz was born in Niagara Falls, New York, on January 24, 1959. His family moved to Gladwyne, Pennsylvania, where he graduated from Harriton High School in 1977.[10] Merz studied chemistry at the undergraduate level at Washington College and where he graduated in 1981.[8] In 1985, he received his Ph.D. from the University of Texas at Austin under the supervision of M. J. S. Dewar. After postdoctoral appointments with Roald Hoffmann from 1986 to 1987 and Peter Kollman from 1987 to 1989, he started his academic career at the Pennsylvania State University.[8][4]

Career edit

Merz joined the chemistry department at the Pennsylvania State University as an assistant professor in 1989.[11][9] He was promoted to an associate professor in 1996 and professor in 1998.[9] While at the Pennsylvania State University he took a sabbatical to work in the biopharmaceutical industry (1998-2001) as the senior director of the Center for Informatics and Drug Discovery (CIDD) at Pharmacopeia, Inc. and as the senior director of the ADMET Research and Development Group in the Accelrys software division of Pharmacopeia.[12][11] He also founded, in 2001, the software company QuantumBio, Inc located in State College, Pennsylvania.[12] In 2005, he joined the faculty at the University of Florida in the chemistry department and as part of the Quantum Theory Project.[13] While he was at University of Florida, he was named the Colonel Allan R. and Margaret G. Crow Term Professor, 2009-2011,[14] the University of Florida Research Foundation (UFRF) Professor,[11] 2011-2013 and the Edmund H. Prominski Professor of Chemistry, 2011-2013.[15] In 2013, Merz moved to Michigan State University as a professor in the Chemistry and Biochemistry and Molecular Biology Departments.[1] 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.[12] While his primary appointment is at Michigan State University, he has also held visiting Professorships at Imperial College, the Institute for Research in Biomedicine, École Polytechnique, University of Florence, University of Strasbourg, University of Oviedo and ETH Zurich.[11]

Research edit

Merz is known for his contributions to the use of linear-scaling quantum mechanical methods in biological and pharmaceutical sciences; QM/MM methods; force field design for proteins and metalloenzymes; atomic point charges; free energy studies and NMR and X-ray refinement using QM methods; the AMBER suite of programs for biomolecular simulation; and the ab initio QM program QUICK.[1][5]

Publications edit

  • The Protein Folding Problem and Tertiary Structure Prediction K. M. Merz, Jr.; S. M. LeGrand Eds.; Birkhaüser: Boston, MA, 1994.[16]
  • Structure, Function and Dynamics of Lipid Bilayers K. M. Merz, Jr.; B. Roux Eds.; Birkhaüser: Boston, MA, 1996.
  • Structure-Based Drug Design D. Ringe; C. R. Reynolds; K. M. Merz, Jr., Eds.; Cambridge University Press: Boston, MA, 2010[17]

Awards edit

  • Election as an ACS Fellow (2010).[18]
  • ACS Award for Computers in Chemical and Pharmaceutical Research (2010).[19]
  • Alumni Citation, Washington College (2011).[20]
  • Election as a fellow of the American Association for the Advancement of Science (1999).[9]
  • John Simon Guggenheim Fellowship (1996-1997).[11]

Selected publications edit

  • Using Quantum Mechanical Approaches to Study Biological Systems; K. M. Merz, Jr. Acc. Chem. Res. 2014 47, 2804–2811.[21]
  • Open-source multi-GPU-accelerated QM/MM simulations with AMBER and QUICK; V. Cruzeiro; M. Manathunga; K. M. Merz, Jr.; A. W. Götz J. Chem Inf. Model 2021, 61, 2109–2115.[22]
  • 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 J. Am. Chem. Soc. 1995, 117, 5179-5197.[23]
  • Metal Ion Modeling Using Classical Mechanics; P. Li; K. M. Merz, Jr. Chemical Reviews, 2017, 117, 1564–1686.[24]
  • Atomic Charges Derived from Semiempirical Methods; B. H. Besler, K. M. Merz, Jr., and P. A. Kollman J. Comput. Chem.1990, 11, 431-439.[25]
  • 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 J. Am. Chem. Soc. 1989, 111, 5649-5658.[26]
  • 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 J. Comput. Chem. 2005, 26, 1668-1688.[27]
  • 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 J. Chem. Theory Comput. 2021.[28]

References edit

  1. ^ a b c "Kenneth Merz". www.chemistry.msu.edu. Retrieved 2021-06-28.
  2. ^ "Kenneth Merz named Editor-in-Chief of the Journal of Chemical Information and Modeling". acs.org. November 7, 2013. Retrieved November 27, 2017.
  3. ^ "Kenneth Merz". merzgroup.org. Retrieved November 27, 2017.
  4. ^ a b c "Editor-in-Chief". pubs.acs.org. Retrieved 2021-06-28.
  5. ^ a b "Kenneth M. Merz Jr. Named New Editor Of The Journal Of Chemical Information & Modeling". cen.acs.org. Retrieved 2021-06-28.
  6. ^ "Kenneth M. Merz Jr". Retrieved November 27, 2017.
  7. ^ "Kenneth M. Merz". msu.edu. Retrieved November 27, 2017.
  8. ^ a b c "Prof. Kenneth Merz - Georgia Tech Chemistry & Biochemistry". chemistry.gatech.edu. Retrieved 2021-06-28.
  9. ^ a b c d "MSU Scholar - Kenneth Merz". scholars.msu.edu. Retrieved 2021-06-28.
  10. ^ "Class of 1977 - Harriton High School". old-friends.co. Retrieved 2021-06-28.
  11. ^ a b c d e "SELECTBIO - Discovery Chemistry Congress Speaker Biography". selectbiosciences.com. Retrieved 2021-06-28.
  12. ^ a b c "Kenneth Merz named Joseph Zichis Chair in Chemistry". MSUToday - Michigan State University. Retrieved 2021-06-28.
  13. ^ "Quantum Theory Project - University of Florida". www.qtp.ufl.edu. Retrieved 2021-06-28.
  14. ^ "Alumnus Kenneth M. Merz, Jr., Wins 2010 ACS Award". cm.utexas.edu. Retrieved 2021-06-28.
  15. ^ "Kenneth M. Merz, Jr., Ph.D., named new Editor-in-Chief of the Journal of Chemical Information and Modeling". American Chemical Society. Retrieved 2021-06-28.
  16. ^ Merz, Kenneth; LeGrand, Scott M., eds. (1994). The Protein Folding Problem and Tertiary Structure Prediction. Birkhäuser Basel. ISBN 978-1-4684-6833-5.
  17. ^ Merz, Jr, Kenneth M.; Ringe, Dagmar; Reynolds, Charles H., eds. (2010). Drug Design: Structure- and Ligand-Based Approaches. Cambridge: Cambridge University Press. doi:10.1017/CBO9780511730412. ISBN 978-0-521-88723-6.{{cite book}}: CS1 maint: multiple names: editors list (link)
  18. ^ "Kenneth M. Merz, Jr., Ph.D., named new Editor-in-Chief of the Journal of Chemical Information and Modeling". American Chemical Society. Retrieved 2021-06-28.
  19. ^ "Alumnus Kenneth M. Merz, Jr., Wins 2010 ACS Award". cm.utexas.edu. Retrieved 2021-06-28.
  20. ^ "Commencement 2011". washcoll.livewhale.net. Retrieved 2021-06-28.
  21. ^ Merz, Kenneth (2014-06-06). "Using Quantum Mechanical Approaches to Study Biological Systems". Accounts of Chemical Research. 47 (9): 2804–2811. doi:10.1021/ar5001023. PMC 4165465. PMID 25099338.
  22. ^ "Open-source multi-GPU-accelerated QM/MM simulations with AMBER and QUICK". natsci.msu.edu. Retrieved 2021-06-28.
  23. ^ Ferguson, David (January 1995). "A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules". Journal of the American Chemical Society.
  24. ^ Li, Pengfei; Merz, Kenneth (2017-01-03). "Metal Ion Modeling Using Classical Mechanics". Chemical Reviews. 117 (3): 1564–1686. doi:10.1021/acs.chemrev.6b00440. PMC 5312828. PMID 28045509.
  25. ^ Besler, Brent H.; Merz, Kenneth M.; Kollman, Peter A. (1990). "Atomic charges derived from semiempirical methods". Journal of Computational Chemistry. 11 (4): 431–439. doi:10.1002/jcc.540110404. ISSN 1096-987X. S2CID 98010849.
  26. ^ Merz, Kenneth M.; Kollman, Peter A. (1989-07-01). "Free energy perturbation simulations of the inhibition of thermolysin: prediction of the free energy of binding of a new inhibitor". Journal of the American Chemical Society. 111 (15): 5649–5658. doi:10.1021/ja00197a022. ISSN 0002-7863.
  27. ^ 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). "The Amber biomolecular simulation programs". Journal of Computational Chemistry. 26 (16): 1668–1688. doi:10.1002/jcc.20290. ISSN 0192-8651. PMC 1989667. PMID 16200636.
  28. ^ 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). "Harnessing the Power of Multi-GPU Acceleration into the Quantum Interaction Computational Kernel Program". doi:10.26434/chemrxiv.13769209.v1. {{cite journal}}: Cite journal requires |journal= (help)

External links edit

  • The Merz Group
  • Google Scholar

December 19, 2023
kenneth, merz, this, article, have, been, created, edited, return, undisclosed, payments, violation, wikipedia, terms, require, cleanup, comply, with, wikipedia, content, policies, particularly, neutral, point, view, july, 2021, american, biochemist, molecular. This article may have been created or edited in return for undisclosed payments a violation of Wikipedia s terms of use It may require cleanup to comply with Wikipedia s content policies particularly neutral point of view July 2021 Kenneth M Merz Jr is an American biochemist and molecular biologist currently the Joseph Zichis Chair and a distinguished university professor at Michigan State University and editor in chief of American Chemical Society s Journal of Chemical Information and Modeling 1 2 3 4 5 A highly cited expert in his field 6 his research interests are in computational chemistry and biology and computer aided drug design CADD 7 4 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 8 9 Kenneth M Merz Jr Born1959 1959 age 64 Niagara Falls New York United StatesEducationWashington College 1977 1981 The University of Texas at Austin 1981 1985 Cornell University 1986 1987 University of California San Francisco 1987 1989 Scientific careerFieldsBiochemistry Molecular Biology Quantum ChemistryInstitutionsPennsylvania State University 1989 2005 University of Florida 2005 2013 Michigan State University 2013 present Doctoral advisorM J S Dewar Contents 1 Education and early life 2 Career 3 Research 4 Publications 5 Awards 6 Selected publications 7 References 8 External linksEducation and early life editMerz was born in Niagara Falls New York on January 24 1959 His family moved to Gladwyne Pennsylvania where he graduated from Harriton High School in 1977 10 Merz studied chemistry at the undergraduate level at Washington College and where he graduated in 1981 8 In 1985 he received his Ph D from the University of Texas at Austin under the supervision of M J S Dewar After postdoctoral appointments with Roald Hoffmann from 1986 to 1987 and Peter Kollman from 1987 to 1989 he started his academic career at the Pennsylvania State University 8 4 Career editMerz joined the chemistry department at the Pennsylvania State University as an assistant professor in 1989 11 9 He was promoted to an associate professor in 1996 and professor in 1998 9 While at the Pennsylvania State University he took a sabbatical to work in the biopharmaceutical industry 1998 2001 as the senior director of the Center for Informatics and Drug Discovery CIDD at Pharmacopeia Inc and as the senior director of the ADMET Research and Development Group in the Accelrys software division of Pharmacopeia 12 11 He also founded in 2001 the software company QuantumBio Inc located in State College Pennsylvania 12 In 2005 he joined the faculty at the University of Florida in the chemistry department and as part of the Quantum Theory Project 13 While he was at University of Florida he was named the Colonel Allan R and Margaret G Crow Term Professor 2009 2011 14 the University of Florida Research Foundation UFRF Professor 11 2011 2013 and the Edmund H Prominski Professor of Chemistry 2011 2013 15 In 2013 Merz moved to Michigan State University as a professor in the Chemistry and Biochemistry and Molecular Biology Departments 1 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 12 While his primary appointment is at Michigan State University he has also held visiting Professorships at Imperial College the Institute for Research in Biomedicine Ecole Polytechnique University of Florence University of Strasbourg University of Oviedo and ETH Zurich 11 Research editMerz is known for his contributions to the use of linear scaling quantum mechanical methods in biological and pharmaceutical sciences QM MM methods force field design for proteins and metalloenzymes atomic point charges free energy studies and NMR and X ray refinement using QM methods the AMBER suite of programs for biomolecular simulation and the ab initio QM program QUICK 1 5 Publications editThe Protein Folding Problem and Tertiary Structure Prediction K M Merz Jr S M LeGrand Eds Birkhauser Boston MA 1994 16 Structure Function and Dynamics of Lipid Bilayers K M Merz Jr B Roux Eds Birkhauser Boston MA 1996 Structure Based Drug Design D Ringe C R Reynolds K M Merz Jr Eds Cambridge University Press Boston MA 2010 17 Awards editElection as an ACS Fellow 2010 18 ACS Award for Computers in Chemical and Pharmaceutical Research 2010 19 Alumni Citation Washington College 2011 20 Election as a fellow of the American Association for the Advancement of Science 1999 9 John Simon Guggenheim Fellowship 1996 1997 11 Selected publications editUsing Quantum Mechanical Approaches to Study Biological Systems K M Merz Jr Acc Chem Res 2014 47 2804 2811 21 Open source multi GPU accelerated QM MM simulations with AMBER and QUICK V Cruzeiro M Manathunga K M Merz Jr A W Gotz J Chem Inf Model 2021 61 2109 2115 22 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 J Am Chem Soc 1995 117 5179 5197 23 Metal Ion Modeling Using Classical Mechanics P Li K M Merz Jr Chemical Reviews 2017 117 1564 1686 24 Atomic Charges Derived from Semiempirical Methods B H Besler K M Merz Jr and P A Kollman J Comput Chem 1990 11 431 439 25 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 J Am Chem Soc 1989 111 5649 5658 26 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 J Comput Chem 2005 26 1668 1688 27 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 J Chem Theory Comput 2021 28 References edit a b c Kenneth Merz www chemistry msu edu Retrieved 2021 06 28 Kenneth Merz named Editor in Chief of the Journal of Chemical Information and Modeling acs org November 7 2013 Retrieved November 27 2017 Kenneth Merz merzgroup org Retrieved November 27 2017 a b c Editor in Chief pubs acs org Retrieved 2021 06 28 a b Kenneth M Merz Jr Named New Editor Of The Journal Of Chemical Information amp Modeling cen acs org Retrieved 2021 06 28 Kenneth M Merz Jr Retrieved November 27 2017 Kenneth M Merz msu edu Retrieved November 27 2017 a b c Prof Kenneth Merz Georgia Tech Chemistry amp Biochemistry chemistry gatech edu Retrieved 2021 06 28 a b c d MSU Scholar Kenneth Merz scholars msu edu Retrieved 2021 06 28 Class of 1977 Harriton High School old friends co Retrieved 2021 06 28 a b c d e SELECTBIO Discovery Chemistry Congress Speaker Biography selectbiosciences com Retrieved 2021 06 28 a b c Kenneth Merz named Joseph Zichis Chair in Chemistry MSUToday Michigan State University Retrieved 2021 06 28 Quantum Theory Project University of Florida www qtp ufl edu Retrieved 2021 06 28 Alumnus Kenneth M Merz Jr Wins 2010 ACS Award cm utexas edu Retrieved 2021 06 28 Kenneth M Merz Jr Ph D named new Editor in Chief of the Journal of Chemical Information and Modeling American Chemical Society Retrieved 2021 06 28 Merz Kenneth LeGrand Scott M eds 1994 The Protein Folding Problem and Tertiary Structure Prediction Birkhauser Basel ISBN 978 1 4684 6833 5 Merz Jr Kenneth M Ringe Dagmar Reynolds Charles H eds 2010 Drug Design Structure and Ligand Based Approaches Cambridge Cambridge University Press doi 10 1017 CBO9780511730412 ISBN 978 0 521 88723 6 a href Template Cite book html title Template Cite book cite book a CS1 maint multiple names editors list link Kenneth M Merz Jr Ph D named new Editor in Chief of the Journal of Chemical Information and Modeling American Chemical Society Retrieved 2021 06 28 Alumnus Kenneth M Merz Jr Wins 2010 ACS Award cm utexas edu Retrieved 2021 06 28 Commencement 2011 washcoll livewhale net Retrieved 2021 06 28 Merz Kenneth 2014 06 06 Using Quantum Mechanical Approaches to Study Biological Systems Accounts of Chemical Research 47 9 2804 2811 doi 10 1021 ar5001023 PMC 4165465 PMID 25099338 Open source multi GPU accelerated QM MM simulations with AMBER and QUICK natsci msu edu Retrieved 2021 06 28 Ferguson David January 1995 A Second Generation Force Field for the Simulation of Proteins Nucleic Acids and Organic Molecules Journal of the American Chemical Society Li Pengfei Merz Kenneth 2017 01 03 Metal Ion Modeling Using Classical Mechanics Chemical Reviews 117 3 1564 1686 doi 10 1021 acs chemrev 6b00440 PMC 5312828 PMID 28045509 Besler Brent H Merz Kenneth M Kollman Peter A 1990 Atomic charges derived from semiempirical methods Journal of Computational Chemistry 11 4 431 439 doi 10 1002 jcc 540110404 ISSN 1096 987X S2CID 98010849 Merz Kenneth M Kollman Peter A 1989 07 01 Free energy perturbation simulations of the inhibition of thermolysin prediction of the free energy of binding of a new inhibitor Journal of the American Chemical Society 111 15 5649 5658 doi 10 1021 ja00197a022 ISSN 0002 7863 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 The Amber biomolecular simulation programs Journal of Computational Chemistry 26 16 1668 1688 doi 10 1002 jcc 20290 ISSN 0192 8651 PMC 1989667 PMID 16200636 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 Harnessing the Power of Multi GPU Acceleration into the Quantum Interaction Computational Kernel Program doi 10 26434 chemrxiv 13769209 v1 a href Template Cite journal html title Template Cite journal cite journal a Cite journal requires journal help External links editThe Merz Group Google Scholar Retrieved from https en wikipedia org w index php title Kenneth M Merz Jr amp oldid 1177251344, wikipedia, wiki, book, books, library,

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