Michael L Klein

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	All	Since 2016
Citations	97069	30245
h-index	119	60
i10-index	668	289

7000

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198319841985198619871988198919901991199219931994199519961997199819992000200120022003200420052006200720082009201020112012201320142015201620172018201920202021256 366 361 398 419 428 501 617 732 899 901 1097 973 1160 1151 1288 1441 1454 1458 1694 1822 2051 2502 2912 2902 3206 3656 3913 4226 4521 4732 4965 5289 5433 5431 5833 5800 6476 1267

Co-authors

William DeGradoUCSFVerified email at UCSF.edu
Vincenzo CarnevaleICMS - Temple UniversityVerified email at temple.edu
Douglas TobiasDepartment of Chemistry, UC IrvineVerified email at uci.edu
Giacomo FiorinStaff scientist, National Institutes of HealthVerified email at nih.gov
Glenn MartynaPimpernel Science, Software and Information TechnologyVerified email at pimpernelllc.com
Mark E TuckermanNew York UniversityVerified email at nyu.edu
Russell DeVaneProcter & GambleVerified email at pg.com
Mounir TarekCNRS- Université de Lorraine, Nancy FranceVerified email at univ-lorraine.fr
Dennis DischerUniversity of PennsylvaniaVerified email at seas.upenn.edu
Wataru ShinodaNagoya UniversityVerified email at chembio.nagoya-u.ac.jp
Virgil PercecP. Roy Vagelos Chair and Professor of Chemistry, University of PennsylvaniaVerified email at sas.upenn.edu
Goundla SrinivasNorth Carolina A&T State UniversityVerified email at ncat.edu
lucie delemotteKTH, SciLifeLabVerified email at scilifelab.se
Carlos F. LopezAssistant Professor of Biochemistry, Vanderbilt UniversityVerified email at vanderbilt.edu
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
John ShelleySchrödinger Fellow, Schrödinger, Inc.Verified email at schrodinger.com
William L. JorgensenSterling Professor of Chemistry, Yale UniversityVerified email at yale.edu
Bernd EnsingAssociate Professor of Computational Chemistry, University of AmsterdamVerified email at uva.nl
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerified email at umn.edu
Sanjoy BandyopadhyayProfessor of ChemistryVerified email at chem.iitkgp.ac.in

Michael L Klein

Temple University

Verified email at temple.edu

physical chemistry self-assembly membranes channels molecular simulation


Title Sort by citations Sort by year Sort by title	Cited by Cited by	Year
Comparison of simple potential functions for simulating liquid water WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein The Journal of chemical physics 79 (2), 926-935, 1983	31145	1983
Constant pressure molecular dynamics algorithms GJ Martyna, DJ Tobias, ML Klein The Journal of chemical physics 101 (5), 4177-4189, 1994	3670	1994
Nosé–Hoover chains: The canonical ensemble via continuous dynamics GJ Martyna, ML Klein, M Tuckerman The Journal of chemical physics 97 (4), 2635-2643, 1992	3454	1992
Constant pressure molecular dynamics for molecular systems S Nosé, ML Klein Molecular Physics 50 (5), 1055-1076, 1983	2526	1983
Explicit reversible integrators for extended systems dynamics GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein Molecular Physics 87 (5), 1117-1157, 1996	1757	1996
On the quantum nature of the shared proton in hydrogen bonds ME Tuckerman, D Marx, ML Klein, M Parrinello Science 275 (5301), 817-820, 1997	747	1997
Revolutionizing science and engineering through cyberinfrastructure: Report of the National Science Foundation blue-ribbon advisory panel on cyberinfrastructure DE Atkins National Science Foundation, 2003	726	2003
Self-assembly of Janus dendrimers into uniform dendrimersomes and other complex architectures V Percec, DA Wilson, P Leowanawat, CJ Wilson, AD Hughes, ... Science 328 (5981), 1009-1014, 2010	615	2010
A coarse grain model for phospholipid simulations JC Shelley, MY Shelley, RC Reeder, S Bandyopadhyay, ML Klein The Journal of Physical Chemistry B 105 (19), 4464-4470, 2001	592	2001
A polarizable model for water using distributed charge sites M Sprik, ML Klein The Journal of chemical physics 89 (12), 7556-7560, 1988	575	1988
From molecules to materials: Current trends and future directions P Alivisatos, PF Barbara, AW Castleman, J Chang, DA Dixon, ML Klein, ... Advanced Materials 10 (16), 1297-1336, 1998	564	1998
Coarse grain models and the computer simulation of soft materials SO Nielsen, CF Lopez, G Srinivas, ML Klein Journal of Physics: Condensed Matter 16 (15), R481, 2004	556	2004
Simulation of a monolayer of alkyl thiol chains J Hautman, ML Klein The Journal of chemical physics 91 (8), 4994-5001, 1989	523	1989
Molecular model for aqueous ferrous–ferric electron transfer RA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW Impey The Journal of chemical physics 89 (5), 3248-3257, 1988	519	1988
De novo design of biomimetic antimicrobial polymers GN Tew, D Liu, B Chen, RJ Doerksen, J Kaplan, PJ Carroll, ML Klein, ... Proceedings of the National Academy of Sciences 99 (8), 5110-5114, 2002	505	2002
De novo design of antimicrobial polymers, foldamers, and small molecules: from discovery to practical applications GN Tew, RW Scott, ML Klein, WF DeGrado Accounts of chemical research 43 (1), 30-39, 2010	484	2010
Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals ME Tuckerman, BJ Berne, GJ Martyna, ML Klein The Journal of Chemical Physics 99 (4), 2796-2808, 1993	476	1993
Using collective variables to drive molecular dynamics simulations G Fiorin, ML Klein, J Hénin Molecular Physics 111 (22-23), 3345-3362, 2013	470	2013
Intermolecular potential functions and the properties of water JR Reimers, RO Watts, ML Klein Chemical Physics 64 (1), 95-114, 1982	462	1982
Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, ... Nature chemistry 8 (9), 831, 2016	433	2016

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