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Results 1 to 25 of 29367

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Brine rejection from freezing salt solutions: A molecular dynamics studyVRBKA, Lubos; JUNGWIRTH, Pavel.Physical review letters. 2005, Vol 95, Num 14, pp 148501.1-148501.4, issn 0031-9007Article

Local dynamics in biological macromoleculesPERICO, A.Biopolymers. 1989, Vol 28, Num 9, pp 1527-1540, issn 0006-3525, 14 p.Article

Nonequilibrium states and long range correlations in chemical dynamicsNICOLIS, G; AMELLAL, A; DUPONT, G et al.Journal of molecular liquids. 1989, Vol 41, pp 5-19, issn 0167-7322, 15 p.Article

Unusual dynamic features of the trp repressor from Escherichia coliARROWSMITH, C. H; CZAPLICKI, J; IYER, S. B et al.Journal of the American Chemical Society. 1991, Vol 113, Num 10, pp 4020-4022, issn 0002-7863Article

Molecular spectroscopy and dynamics: a polyad-based perspectiveHERMAN, Michel; PERRY, David S.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 25, pp 9970-9993, issn 1463-9076, 24 p.Article

Energy drift in reversible time integrationMCLACHLAN, R. I; PERLMUTTER, M.Journal of physics. A, mathematical and general. 2004, Vol 37, Num 45, pp L593-L598, issn 0305-4470Article

A ring polymer molecular dynamics study of the isotopologues of the H + H2 reactionSULEIMANOV, Yury V; PEREZ DE TUDELA, Ricardo; JAMBRINA, Pablo G et al.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 10, pp 3655-3665, issn 1463-9076, 11 p.Article

Molecular dynamics study of peptides in implicit water: Ab initio folding of β-hairpin, β-sheet, and ββα-motifJANG, Soonmin; SHIN, Seokmin; PAK, Youngshang et al.Journal of the American Chemical Society. 2002, Vol 124, Num 18, pp 4976-4977, issn 0002-7863Article

Efficient algorithms for many-body hard particle molecular dynamicsMARIN, M; RISSO, D; CORDERO, P et al.Journal of computational physics (Print). 1993, Vol 109, Num 2, pp 306-317, issn 0021-9991Article

Quasimolecular simulation of large liquid dropsGREENSPAN, D.Journal of physics. D, Applied physics (Print). 1989, Vol 22, Num 9, pp 1415-1417, issn 0022-3727, 3 p.Article

Extensions of the molecular dynamics simulation method. II: Isothermal systemsHAILE, J. M; GUPTA, S.The Journal of chemical physics. 1983, Vol 79, Num 6, pp 3067-3076, issn 0021-9606Article

Kinetically Controlled Formation of Formamide Trimer from First PrinciplesSZYJA, Bartłomiej M; ANTONIOU, Anna; DOLTSINIS, Nikos L et al.ChemPhysChem (Print). 2013, Vol 14, Num 4, pp 812-816, issn 1439-4235, 5 p.Article

Molecular dynamics of Emiliania huxleyi and cooccurring viruses during two separate mesocosm studiesMARTINEZ, Joaquin Martinez; SCHROEDER, Declan C; LARSEN, Aud et al.Applied and environmental microbiology (Print). 2007, Vol 73, Num 2, pp 554-562, issn 0099-2240, 9 p.Article

Harmonic and quasiharmonic descriptions of crambinTEETER, M. M; CASE, D. A.Journal of physical chemistry (1952). 1990, Vol 94, Num 21, pp 8091-8097, issn 0022-3654Article

The thermodynamics of dense fluid nitrogen by molecular dynamicsJOHNSON, J. D; SHAW, M. S; HOLIAN, B. L et al.The Journal of chemical physics. 1984, Vol 80, Num 3, pp 1279-1294, issn 0021-9606Article

Dynamics of DNA in chromatin and DNA binding mode to core proteinASHIKAWA, I; KINOSITA, K. JR; IKEGAMI, A et al.Journal of biochemistry (Tokyo). 1983, Vol 93, Num 2, pp 665-668, issn 0021-924XArticle

Nonequilibrium molecular dynamics via Gauss's principle of least constraintEVANS, D. J; HOOVER, W. G; FAILOR, B. H et al.Physical review. A, General physics. 1983, Vol 28, Num 2, pp 1016-1021, issn 0556-2791Article

Rigid-body molecular dynamics of DNA inside a nucleosomeFATHIZADEH, Arman; AZIM BERDY BESYA; MOHAMMAD REZA EJTEHADI et al.The European physical journal. E, Soft matter (Print). 2013, Vol 36, Num 3, issn 1292-8941, 13021.1-13021.4Article

Dynamics of proteins: elements and functionKARPLUS, M; MCCAMMON, J. A.Annual review of biochemistry. 1983, Vol 52, pp 263-300, issn 0066-4154Article

Dynamics of structural transitions in liquidsSTILLINGER, F. H; WEBER, T. A.Physical review. A, General physics. 1983, Vol 28, Num 4, pp 2408-2416, issn 0556-2791Article

Microscopic wetting phenomenaHAUTMAN, J; KLEIN, M. L.Physical review letters. 1991, Vol 67, Num 13, pp 1763-1766, issn 0031-9007Article

Classical molecular dynamics: whither?RAPAPORT, D. C.Computer physics communications. 2002, Vol 146, Num 1, issn 0010-4655, p. 134Conference Paper

High and anisotropic thermal conductivity of body-centered tetragonal C4 calculated using molecular dynamicsZHENQIANG YE; BINGYANG CAO; ZENGYUAN GUO et al.Carbon (New York, NY). 2014, Vol 66, pp 567-575, issn 0008-6223, 9 p.Article

In-cascade formation of plain vacancy cluster and its stability in pure Fe : MD studyTERENTIEV, Dmitry A; MALERBA, Lorenzo; HOU, M et al.Proceedings of SPIE, the International Society for Optical Engineering. 2006, pp 625308.1-625308.4, issn 0277-786X, isbn 0-8194-6312-4, 1VolConference Paper

Homogenous mixing of ionic liquids: molecular dynamics simulationsRAJDEEP SINGH PAYAL; BALASUBRAMANIAN, Sundaram.PCCP. Physical chemistry chemical physics (Print). 2013, Vol 15, Num 48, pp 21077-21083, issn 1463-9076, 7 p.Article

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