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9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Michael L KleinTemple Universitychemical physics, physical chemistry, physics,biophysics, room temperature ionic liquids
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Citation indices All Since 2010Citations 57866 23081h-index 96 55i10-index 555 290
Title 1–100 Cited by Year
Comparison of simple potential functions for simulating liquid waterWL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML KleinThe Journal of chemical physics 79 (2), 926-935
17118 1983
Nosé–Hoover chains: the canonical ensemble via continuous dynamicsGJ Martyna, ML Klein, M TuckermanThe Journal of chemical physics 97 (4), 2635-2643
1707 1992
Constant pressure molecular dynamics algorithmsGJ Martyna, DJ Tobias, ML KleinThe Journal of Chemical Physics 101 (5), 4177-4189
1554 1994
Constant pressure molecular dynamics for molecular systemsS Nosé, ML KleinMolecular Physics 50 (5), 1055-1076
1242 1983
Explicit reversible integrators for extended systems dynamicsGJ Martyna, ME Tuckerman, DJ Tobias, ML KleinMolecular Physics 87 (5), 1117-1157
1176 1996
On the quantum nature of the shared proton in hydrogen bondsME Tuckerman, D Marx, ML Klein, M ParrinelloScience 275 (5301), 817-820
542 1997
A coarse grain model for phospholipid simulationsJC Shelley, MY Shelley, RC Reeder, S Bandyopadhyay, ML KleinThe Journal of Physical Chemistry B 105 (19), 4464-4470
467 2001
A polarizable model for water using distributed charge sitesM Sprik, ML KleinThe Journal of chemical physics 89 (12), 7556-7560
463 1988
From molecules to materials: Current trends and future directionsP Alivisatos, PF Barbara, AW Castleman, J Chang, DA Dixon, ML Klein, ...Advanced Materials 10 (16), 1297-1336
446 1998
Simulation of a monolayer of alkyl thiol chainsJ Hautman, ML KleinThe Journal of Chemical Physics 91 (8), 4994-5001
423 1989
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Intermolecular potential functions and the properties of waterJR Reimers, RO Watts, ML KleinChemical Physics 64 (1), 95-114
406 1982
Coarse grain models and the computer simulation of soft materialsSO Nielsen, CF Lopez, G Srinivas, ML KleinJournal of Physics: Condensed Matter 16 (15), R481
386 2004
Molecular model for aqueous ferrous–ferric electron transferRA Kuharski, JS Bader, D Chandler, M Sprik, ML Klein, RW ImpeyThe Journal of chemical physics 89 (5), 3248-3257
381 1988
Efficient molecular dynamics and hybrid Monte Carlo algorithms for pathintegralsME Tuckerman, BJ Berne, GJ Martyna, ML KleinThe Journal of Chemical Physics 99 (4), 2796-2808
340 1993
Molecular‐dynamics simulation of aqueous mixtures: Methanol, acetone, andammoniaM Ferrario, M Haughney, IR McDonald, ML KleinThe Journal of chemical physics 93 (7), 5156-5166
323 1990
De novo design of biomimetic antimicrobial polymersGN Tew, D Liu, B Chen, RJ Doerksen, J Kaplan, PJ Carroll, ML Klein, ...Proceedings of the National Academy of Sciences 99 (8), 5110-5114
311 2002
Effective pair potentials and the properties of waterK Watanabe, ML KleinChemical Physics 131 (2), 157-167
304 1989
Liquid water from first principles: Investigation of different sampling approachesIFW Kuo, CJ Mundy, MJ McGrath, JI Siepmann, J VandeVondele, M Sprik, ...The Journal of Physical Chemistry B 108 (34), 12990-12998
279 2004
Self-assembly of Janus dendrimers into uniform dendrimersomes and othercomplex architecturesV Percec, DA Wilson, P Leowanawat, CJ Wilson, AD Hughes, ...Science 328 (5981), 1009-1014
275 2010
Path-integral Monte Carlo study of low-temperature He 4 clustersP Sindzingre, ML Klein, DM CeperleyPhysical review letters 63 (15), 1601
274 1989
Probing the structure of DNA-carbon nanotube hybrids with moleculardynamicsRR Johnson, ATC Johnson, ML KleinNano Letters 8 (1), 69-75
258 2008
Understanding nature's design for a nanosyringeCF Lopez, SO Nielsen, PB Moore, ML Klein 247 2004
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Proceedings of the National Academy of Sciences of the United States of ...
Efficient and general algorithms for path integral Car–Parrinello moleculardynamicsME Tuckerman, D Marx, ML Klein, M ParrinelloThe Journal of chemical physics 104 (14), 5579-5588
247 1996
Large-scale molecular dynamics simulations of self-assembling systemsML Klein, W ShinodaScience 321 (5890), 798-800
241 2008
Molecular dynamics study of the self-assembled monolayer composed of S(CH2) 14CH3 molecules using an all-atoms modelW Mar, ML KleinLangmuir 10 (1), 188-196
235 1994
Second-order elastic constants of a solid under stressTHK Barron, ML KleinProceedings of the Physical Society 85 (3), 523
233 1965
Self-assembly and properties of diblock copolymers by coarse-grain moleculardynamicsG Srinivas, DE Discher, ML KleinNature materials 3 (9), 638-644
230 2004
Emerging applications of polymersomes in delivery: from molecular dynamicsto shrinkage of tumorsDE Discher, V Ortiz, G Srinivas, ML Klein, Y Kim, D Christian, S Cai, ...Progress in polymer science 32 (8), 838-857
227 2007
Hydrogen bonding in waterB Chen, I Ivanov, ML Klein, M ParrinelloPhysical review letters 91 (21), 215503
225 2003
Shrinkage of a rapidly growing tumor by drug-loaded polymersomes: pH-triggered release through copolymer degradationF Ahmed, RI Pakunlu, G Srinivas, A Brannan, F Bates, ML Klein, T Minko, ...Molecular Pharmaceutics 3 (3), 340-350
211 2006
X-ray diffraction and computation yield the structure of alkanethiols on gold(111)A Cossaro, R Mazzarello, R Rousseau, L Casalis, A Verdini, A Kohlmeyer, ...Science 321 (5891), 943-946
209 2008
De novo design of antimicrobial polymers, foldamers, and small molecules:from discovery to practical applicationsGN Tew, RW Scott, ML Klein, WF DeGradoAccounts of chemical research 43 (1), 30-39
208 2009
Superfluidity in clusters of p-H 2 molecules
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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P Sindzingre, DM Ceperley, ML KleinPhysical review letters 67 (14), 1871
204 1991
Constant pressure and temperature molecular dynamics simulation of a fullyhydrated liquid crystal phase dipalmitoylphosphatidylcholine bilayer.K Tu, DJ Tobias, ML KleinBiophysical journal 69 (6), 2558
202 1995
Constant-pressure molecular dynamics investigation of cholesterol effects in adipalmitoylphosphatidylcholine bilayerK Tu, ML Klein, DJ TobiasBiophysical journal 75 (5), 2147-2156
200 1998
Modeling the orientational ordering transition in solid fullerene (C60)M Sprik, A Cheng, ML KleinThe Journal of Physical Chemistry 96 (5), 2027-2029
198 1992
Molecular dynamics simulation of the effects of temperature on a densemonolayer of long‐chain moleculesJ Hautman, ML KleinThe Journal of chemical physics 93 (10), 7483-7492
197 1990
Pairwise additive effective potentials for nitrogenCS Murthy, K Singer, ML Klein, IR McDonaldMolecular Physics 41 (6), 1387-1399
195 1980
Metadynamics as a tool for exploring free energy landscapes of chemicalreactionsB Ensing, M De Vivo, Z Liu, P Moore, ML KleinAccounts of chemical research 39 (2), 73-81
184 2006
Atomic-scale molecular dynamics simulations of lipid membranesDJ Tobias, K Tu, ML KleinCurrent opinion in colloid & interface science 2 (1), 15-26
182 1997
Prediction of the phase diagram of rigid C 60 moleculesA Cheng, ML Klein, C CaccamoPhysical review letters 71 (8), 1200
178 1993
Staging: A sampling technique for the Monte Carlo evaluation of path integralsM Sprik, ML Klein, D ChandlerPhysical Review B 31 (7), 4234
178 1985
Multi-property fitting and parameterization of a coarse grained model foraqueous surfactantsW Shinoda, R DeVane, ML KleinMolecular Simulation 33 (1-2), 27-36
177 2007
Computer simulation studies of model biological membranesL Saiz, ML Klein 176 2002
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Accounts of chemical research 35 (6), 482-489
Simulations of phospholipids using a coarse grain modelJC Shelley, MY Shelley, RC Reeder, S Bandyopadhyay, PB Moore, ...The Journal of Physical Chemistry B 105 (40), 9785-9792
167 2001
Molecular dynamics investigation of the structure of a fully hydrated gel-phasedipalmitoylphosphatidylcholine bilayer.K Tu, DJ Tobias, JK Blasie, ML KleinBiophysical journal 70 (2), 595
166 1996
Structural relaxation and dynamical correlations in a molten state near theliquid–glass transition: A molecular dynamics studyGF Signorini, JL Barrat, ML KleinThe Journal of chemical physics 92 (2), 1294-1303
162 1990
Exploring multidimensional free energy landscapes using time-dependentbiases on collective variablesJ Hénin, G Fiorin, C Chipot, ML KleinJournal of Chemical Theory and Computation 6 (1), 35-47
160 2009
An Ewald summation method for planar surfaces and interfacesJ Hautman, ML KleinMolecular Physics 75 (2), 379-395
160 1992
Microscopic wetting phenomenaJ Hautman, ML KleinPhysical review letters 67 (13), 1763
156 1991
Molecular dynamics study of a sodium octanoate micelle in aqueous solutionK Watanabe, M Ferrario, ML KleinThe Journal of Physical Chemistry 92 (3), 819-821
154 1988
Nontoxic Membrane‐Active Antimicrobial Arylamide OligomersD Liu, S Choi, B Chen, RJ Doerksen, DJ Clements, JD Winkler, ML Klein, ...Angewandte Chemie International Edition 43 (9), 1158-1162
153 2004
Localization and mobility of benzene in sodium-Y zeolite by moleculardynamics calculationsP Demontis, S Yashonath, ML KleinThe Journal of Physical Chemistry 93 (13), 5016-5019
149 1989
Characterization of structural and dynamical behavior in monolayers of long-chain molecules using molecular-dynamics calculationsJP Bareman, G Cardini, ML KleinPhysical review letters 60 (21), 2152
147 1988
Influence of a knot on the strength of a polymer strandAM Saitta, PD Soper, E Wasserman, ML KleinNature 399 (6731), 46-48
143 1999
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Rare gas solidsAcademic Press 142 1976
Structure of hydrophilic self-assembled monolayers: A combined scanningtunneling microscopy and computer simulation studyM Sprik, E Delamarche, B Michel, U Röthlisberger, ML Klein, H Wolf, ...Langmuir 10 (11), 4116-4130
136 1994
Nanoscale organization in room temperature ionic liquids: a coarse grainedmolecular dynamics simulation studyBL Bhargava, R Devane, ML Klein, S BalasubramanianSoft Matter 3 (11), 1395-1400
132 2007
A recipe for the computation of the free energy barrier and the lowest freeenergy path of concerted reactionsB Ensing, A Laio, M Parrinello, ML KleinThe Journal of Physical Chemistry B 109 (14), 6676-6687
132 2005
A study of solid and liquid carbon tetrafluoride using the constant pressure,molecular dynamics techniqueS NosC, ML KleinJ. Chem. Phys 78, 6928
131 1983
An ab initio study of water molecules in the bromide ion solvation shellS Raugei, ML KleinJournal of Chemical Physics 116 (1), 196-202
129 2002
Collective tilt behavior in dense, substrate-supported monolayers of long-chainmolecules: A molecular dynamics studyJP Bareman, ML KleinJournal of Physical Chemistry 94 (13), 5202-5205
129 1990
Molecular dynamics calculations for the liquid and cubic plastic crystal phasesof carbon tetrachlorideIR McDonald, DG Bounds, ML KleinMolecular Physics 45 (3), 521-542
128 1982
Molecular dynamics studies of the structure of water at high temperatures anddensityRW Impey, ML Klein, IR McDonaldThe Journal of Chemical Physics 74 (1), 647-652
128 1981
Solvent polarization and hydration of the chlorine anionM Sprik, ML Klein, K WatanabeJournal of Physical Chemistry 94 (16), 6483-6488
127 1990
Dissipative particle dynamics simulations of polymersomesV Ortiz, SO Nielsen, DE Discher, ML Klein, R Lipowsky, J ShillcockThe Journal of Physical Chemistry B 109 (37), 17708-17714
125 2005
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Ab initio molecular dynamics simulationsME Tuckerman, PJ Ungar, T von Rosenvinge, ML KleinThe Journal of Physical Chemistry 100 (31), 12878-12887
125 1996
Molecular-dynamics investigation of orientational freezing in solid C 60A Cheng, ML KleinPhysical Review B 45 (4), 1889
125 1992
Structural properties of a highly polyunsaturated lipid bilayer from moleculardynamics simulationsL Saiz, ML KleinBiophysical journal 81 (1), 204-216
124 2001
Dynamical properties of a hydrated lipid bilayer from a multinanosecondmolecular dynamics simulationPB Moore, CF Lopez, ML KleinBiophysical journal 81 (5), 2484-2494
123 2001
Structure and mechanism of proton transport through the transmembranetetrameric M2 protein bundle of the influenza A virusR Acharya, V Carnevale, G Fiorin, BG Levine, AL Polishchuk, V Balannik, ...Proceedings of the National Academy of Sciences 107 (34), 15075-15080
121 2010
Disorder in the pseudohexagonal rotator phase of n-alkanes: molecular-dynamics calculations for tricosaneJP Ryckaert, IR McDonald, ML KleinMolecular Physics 67 (5), 957-979
120 1989
Molecular dynamics investigations of self-assembled monolayersJ Hautman, JP Bareman, W Mar, ML KleinJournal of the Chemical Society, Faraday Transactions 87 (13), 2031-2037
119 1991
Molecular dynamics studies of ice Ic and the structure I clathrate hydrate ofmethaneJS Tse, ML Klein, IR McDonaldThe Journal of Physical Chemistry 87 (21), 4198-4203
119 1983
Molecular dynamics simulation of tetradecyltrimethylammonium bromidemonolayers at the air/water interfaceM Tarek, DJ Tobias, ML KleinThe Journal of Physical Chemistry 99 (5), 1393-1402
116 1995
Protonated clathrate cages enclosing neutral water molecules: H+ (H2O) 21and H+ (H2O) 28CC Wu, CK Lin, HC Chang, JC Jiang, JL Kuo, ML KleinJournal of Chemical Physics 122 (7), 74315-74315
113 2005
Molecular dynamics study of a lipid-DNA complexS Bandyopadhyay, M Tarek, ML Klein 112 1999
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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The Journal of Physical Chemistry B 103 (46), 10075-10080
Structure and dynamics of associated molecular systems. I. Computersimulation of liquid hydrogen fluorideML Klein, IR McDonaldThe Journal of Chemical Physics 71 (1), 298-308
112 1979
Pressure-induced phase transformations in iceST John, ML KleinPhysical review letters 58 (16), 1672
111 1987
Rare gas solids, VolML Klein, JA VenablesII (Academic, 1977)
109 1976
Calculation of infrared intensities by the CNDO methodGA Segal, ML KleinThe Journal of Chemical Physics 47 (10), 4236-4240
109 1967
Structural transformations in solid nitrogen at high pressureS Nosé, ML KleinPhysical Review Letters 50 (16), 1207
107 1983
Energy conservation in adaptive hybrid atomistic/coarse-grain moleculardynamicsB Ensing, SO Nielsen, PB Moore, ML Klein, M ParrinelloJournal of Chemical Theory and Computation 3 (3), 1100-1105
106 2007
Molecular dynamics simulation of an aqueous sodium octanoate micelle usingpolarizable surfactant moleculesJC Shelley, M Sprik, ML KleinLangmuir 9 (4), 916-926
105 1993
Computer simulation of muonium in waterB De Raedt, M Sprik, ML KleinThe Journal of chemical physics 80 (11), 5719-5724
105 1984
Computer simulation studies of the structure I clathrate hydrates of methane,tetrafluoromethane, cyclopropane, and ethylene oxideST John, ML Klein, IR McDonaldThe Journal of chemical physics 81 (12), 6146-6153
104 1984
Molecular dynamics simulations of solid buckminsterfullerenesA Cheng, ML KleinThe Journal of Physical Chemistry 95 (18), 6750-6751
102 1991
Computer simulation studies of biomembranes using a coarse grain modelCF Lopez, PB Moore, JC Shelley, MY Shelley, ML KleinComputer physics communications 147 (1), 1-6
101 2002
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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Quantum nuclear ab initio molecular dynamics study of water wiresHS Mei, ME Tuckerman, DE Sagnella, ML KleinThe Journal of Physical Chemistry B 102 (50), 10446-10458
100 1998
Molecular dynamics simulations of a calcium carbonate/calcium sulfonatereverse micelleDJ Tobias, ML KleinThe Journal of Physical Chemistry 100 (16), 6637-6648
100 1996
Free energy landscape of a DNA− carbon nanotube hybrid using replicaexchange molecular dynamicsRR Johnson, A Kohlmeyer, ATC Johnson, ML KleinNano letters 9 (2), 537-541
99 2009
Hydrogen bonding structure and dynamics of water at thedimyristoylphosphatidylcholine lipid bilayer surface from a molecular dynamicssimulationCF Lopez, SO Nielsen, ML Klein, PB MooreThe Journal of Physical Chemistry B 108 (21), 6603-6610
99 2004
Coarse-grained molecular modeling of non-ionic surfactant self-assemblyW Shinoda, R DeVane, ML KleinSoft Matter 4 (12), 2454-2462
98 2008
Orientational ordering in solid C 70: Predictions from computer simulationM Sprik, A Cheng, ML KleinPhysical review letters 69 (11), 1660
98 1992
A coarse grain model for n-alkanes parameterized from surface tension dataSO Nielsen, CF Lopez, G Srinivas, ML KleinThe Journal of chemical physics 119 (14), 7043-7049
97 2003
An Improved Self-Consistent Phonon ApproximationVV Goldman, GK Horton, ML KleinPhysical Review Letters 21 (22), 1527
97 1968
Translational and rotational disorder in solid n‐alkanes: Constant temperature–constant pressure molecular dynamics calculations using infinitely long flexiblechainsJP Ryckaert, ML KleinThe Journal of chemical physics 85 (3), 1613-1620
95 1986
Thermodynamic properties of solid Ar, Kr, and Xe based upon a short-rangecentral force and the conventional perturbation expansion of the partitionfunctionML Klein, GK Horton, JL FeldmanPhysical Review 184 (3), 968
95 1969
Ab initio molecular dynamics study of proton transfer in a polyglycine analog of
9/16/15, 11:27 AMMichael L Klein - Google Scholar Citations
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the ion channel gramicidin A.DE Sagnella, K Laasonen, ML KleinBiophysical journal 71 (3), 1172
94 1996
A molecular dynamics study of methane in zeolite NaYS Yashonath, P Demontis, ML KleinChemical physics letters 153 (6), 551-556
94 1988
Dates and citation counts are estimated and are determined automatically by a computer program.
