Michael L Klein

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Vincenzo CarnevaleiGEM & ICMS - Temple UniversityE-mail confirmado em temple.edu
William DeGradoUCSFE-mail confirmado em UCSF.edu
Giacomo FiorinStaff scientist, National Institutes of HealthE-mail confirmado em nih.gov
Michiel SprikProfessor of Chemistry, University of CambridgeE-mail confirmado em cam.ac.uk
Glenn MartynaPimpernel Science, Software and Information TechnologyE-mail confirmado em pimpernelllc.com
Douglas TobiasDepartment of Chemistry, UC IrvineE-mail confirmado em uci.edu
Mark E TuckermanNew York UniversityE-mail confirmado em nyu.edu
Russell DeVaneProcter & GambleE-mail confirmado em pg.com
Virgil PercecP. Roy Vagelos Chair and Professor of Chemistry, University of PennsylvaniaE-mail confirmado em sas.upenn.edu
Mounir TarekCNRS- Université de Lorraine, Nancy FranceE-mail confirmado em univ-lorraine.fr
Wataru ShinodaOkayama UniversityE-mail confirmado em okayama-u.ac.jp
Dennis DischerUniversity of PennsylvaniaE-mail confirmado em seas.upenn.edu
Bin ChenProfessor of Chemistry, Louisiana State UniversityE-mail confirmado em lsu.edu
lucie delemotteKTH, SciLifeLabE-mail confirmado em scilifelab.se
Goundla SrinivasNorth Carolina A&T State UniversityE-mail confirmado em ncat.edu
Richard RemsingDepartment of Chemistry and Chemical Biology, Rutgers UniversityE-mail confirmado em rutgers.edu
Carlos LopezLead, Multiscale Modeling and Principal ScientistE-mail confirmado em altoslabs.com
Xifan WuProfessor of Physics, Temple UniversityE-mail confirmado em temple.edu
Bernd EnsingAssociate Professor of Computational Chemistry, University of AmsterdamE-mail confirmado em uva.nl
John ShelleySchrödinger Fellow, Schrödinger, Inc.E-mail confirmado em schrodinger.com

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Michael L Klein

Temple University

E-mail confirmado em temple.edu

physical chemistry self-assembly membranes channels molecular simulation


Título Ordenar por citações Ordenar por ano Ordenar por título	Citado por Citado por	Ano
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	42772	1983
Constant pressure molecular dynamics algorithms GJ Martyna, DJ Tobias, ML Klein The Journal of chemical physics 101 (5), 4177-4189, 1994	5747	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	5654	1992
Constant pressure molecular dynamics for molecular systems S Nosé, ML Klein Molecular Physics 50 (5), 1055-1076, 1983	3522	1983
Explicit reversible integrators for extended systems dynamics GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein Molecular Physics 87 (5), 1117-1157, 1996	2174	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	1195*	2003
Using collective variables to drive molecular dynamics simulations G Fiorin, ML Klein, J Hénin Molecular Physics 111 (22-23), 3345-3362, 2013	965	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	948	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	859	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	773	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	653	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	635	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	634	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	625	1998
A polarizable model for water using distributed charge sites M Sprik, ML Klein The Journal of Chemical Physics 89 (12), 7556-7560, 1988	609	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	586	2002
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	580	1988
Simulation of a monolayer of alkyl thiol chains J Hautman, ML Klein The Journal of Chemical Physics 91 (8), 4994-5001, 1989	561	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	554	1993
Rare gas solids ML Klein, JA Venables (No Title), 1976	537*	1976

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