Michael L Klein

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William DeGradoUCSFVerified email at UCSF.edu
Vincenzo CarnevaleiGEM & ICMS - Temple UniversityVerified email at temple.edu
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
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
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
John ShelleySchrödinger Fellow, Schrödinger, Inc.Verified email at schrodinger.com
Richard RemsingDepartment of Chemistry and Chemical Biology, Rutgers UniversityVerified email at rutgers.edu
michele parrinelloDepartment of ChemistryVerified email at phys.chem.ethz.ch
Bernd EnsingAssociate Professor of Computational Chemistry, University of AmsterdamVerified email at uva.nl
Sanjoy BandyopadhyayProfessor of ChemistryVerified email at chem.iitkgp.ac.in
J. Ilja SiepmannDepts. of Chemistry and of Chem. Eng. & Mats. Sci. and Chemical Theory Center, U. MinnesotaVerified email at umn.edu
Leonor SaizDepartment of Biomedical Engineering, University of California, DavisVerified email at ucdavis.edu

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	35304	1983
Constant pressure molecular dynamics algorithms GJ Martyna, DJ Tobias, ML Klein The Journal of chemical physics 101 (5), 4177-4189, 1994	4363	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	4108	1992
Constant pressure molecular dynamics for molecular systems S Nosé, ML Klein Molecular Physics 50 (5), 1055-1076, 1983	2873	1983
Explicit reversible integrators for extended systems dynamics GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein Molecular Physics 87 (5), 1117-1157, 1996	1911	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	805	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	771	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	667	2010
Using collective variables to drive molecular dynamics simulations G Fiorin, ML Klein, J Hénin Molecular Physics 111 (22-23), 3345-3362, 2013	627	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	609	2016
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	609	1998
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	607	2001
A polarizable model for water using distributed charge sites M Sprik, ML Klein The Journal of chemical physics 89 (12), 7556-7560, 1988	598	1988
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	578	2004
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	550	2010
Simulation of a monolayer of alkyl thiol chains J Hautman, ML Klein The Journal of Chemical Physics 91 (8), 4994-5001, 1989	548	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	547	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	535	2002
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	517	1993
Intermolecular potential functions and the properties of water JR Reimers, RO Watts, ML Klein Chemical Physics 64 (1), 95-114, 1982	476	1982

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