Michael L Klein

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Vincenzo CarnevaleiGEM & ICMS - Temple UniversityVerified email at temple.edu
William DeGradoUCSFVerified email at UCSF.edu
Michiel SprikProfessor of Chemistry, University of CambridgeVerified email at cam.ac.uk
Giacomo FiorinStaff scientist, National Institutes of HealthVerified email at nih.gov
Douglas TobiasDepartment of Chemistry, UC IrvineVerified email at uci.edu
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
Virgil PercecP. Roy Vagelos Chair and Professor of Chemistry, University of PennsylvaniaVerified email at sas.upenn.edu
Mounir TarekCNRS- Université de Lorraine, Nancy FranceVerified email at univ-lorraine.fr
Wataru ShinodaOkayama UniversityVerified email at okayama-u.ac.jp
Dennis DischerUniversity of PennsylvaniaVerified email at seas.upenn.edu
Bin ChenProfessor of Chemistry, Louisiana State UniversityVerified email at lsu.edu
lucie delemotteKTH, SciLifeLabVerified email at scilifelab.se
Goundla SrinivasNorth Carolina A&T State UniversityVerified email at ncat.edu
Richard RemsingDepartment of Chemistry and Chemical Biology, Rutgers UniversityVerified email at rutgers.edu
Carlos LopezLead, Multiscale Modeling and Principal ScientistVerified email at altoslabs.com
Xifan WuProfessor of Physics, Temple UniversityVerified email at temple.edu
Bernd EnsingAssociate Professor of Computational Chemistry, University of AmsterdamVerified email at uva.nl
John ShelleySchrödinger Fellow, Schrödinger, Inc.Verified email at schrodinger.com

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	43666	1983
Constant pressure molecular dynamics algorithms GJ Martyna, DJ Tobias, ML Klein J. chem. Phys 101 (4177), 10.1063, 1994	5966	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	5853	1992
Constant pressure molecular dynamics for molecular systems S Nosé, ML Klein Molecular Physics 50 (5), 1055-1076, 1983	3604	1983
Explicit reversible integrators for extended systems dynamics GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein Molecular Physics 87 (5), 1117-1157, 1996	2220	1996
Revolutionizing science and engineering through cyberinfrastructure: Report of the National Science Foundation blue-ribbon advisory panel on cyberinfrastructure DE Atkins National Science Foundation, 2003	1207*	2003
Using collective variables to drive molecular dynamics simulations G Fiorin, ML Klein, J Hénin Molecular Physics 111 (22-23), 3345-3362, 2013	1012	2013
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), 831-836, 2016	984	2016
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	868	1997
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	791	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	662	2001
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	639	2010
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	636	2004
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	629	1998
A polarizable model for water using distributed charge sites M Sprik, ML Klein Journal of Chemical Physics 89 (12), 7556-7560, 1988	617	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	582	2002
Rare gas solids ML Klein, JA Venables (No Title), 1976	581*	1976
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	579	1988
Simulation of a monolayer of alkyl thiol chains J Hautman, ML Klein The Journal of Chemical Physics 91 (8), 4994-5001, 1989	562	1989
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	560	1993

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