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Mark, Alan E., van Gunsteren, Wilfred F., Berendsen, Herman J. C. (1991) Calculation of relative free energy via indirect pathways. The Journal of Chemical Physics, 94 (5). 3808-3816 doi:10.1063/1.459753

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Reference TypeJournal (article/letter/editorial)
TitleCalculation of relative free energy via indirect pathways
JournalThe Journal of Chemical Physics
AuthorsMark, Alan E.Author
van Gunsteren, Wilfred F.Author
Berendsen, Herman J. C.Author
Year1991 (March)Volume94
Issue5
PublisherAIP Publishing
DOIdoi:10.1063/1.459753Search in ResearchGate
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Mindat Ref. ID2189654Long-form Identifiermindat:1:5:2189654:9
GUID0
Full ReferenceMark, Alan E., van Gunsteren, Wilfred F., Berendsen, Herman J. C. (1991) Calculation of relative free energy via indirect pathways. The Journal of Chemical Physics, 94 (5). 3808-3816 doi:10.1063/1.459753
Plain TextMark, Alan E., van Gunsteren, Wilfred F., Berendsen, Herman J. C. (1991) Calculation of relative free energy via indirect pathways. The Journal of Chemical Physics, 94 (5). 3808-3816 doi:10.1063/1.459753
In(1991, March) The Journal of Chemical Physics Vol. 94 (5) AIP Publishing

See Also

These are possibly similar items as determined by title/reference text matching only.

Beutler, Thomas C., van Gunsteren, Wilfred F. (1994) Molecular dynamics free energy calculation in four dimensions. The Journal of Chemical Physics, 101 (2). 1417-1422 doi:10.1063/1.467765
van Gunsteren, Wilfred F., Mark, Alan E. (1998) Validation of molecular dynamics simulation. The Journal of Chemical Physics, 108 (15). 6109-6116 doi:10.1063/1.476021
Beutler, Thomas C., Mark, Alan E., van Schaik, René C., Gerber, Paul R., van Gunsteren, Wilfred F. (1994) Avoiding singularities and numerical instabilities in free energy calculations based on molecular simulations. Chemical Physics Letters, 222. 529-539 doi:10.1016/0009-2614(94)00397-1
Liu, Haiyan, Mark, Alan E., van Gunsteren, Wilfred F. (1996) Estimating the Relative Free Energy of Different Molecular States with Respect to a Single Reference State. The Journal of Physical Chemistry, 100 (22). 9485-9494 doi:10.1021/jp9605212
Schäfer, Heiko, Mark, Alan E., van Gunsteren, Wilfred F. (2000) Absolute entropies from molecular dynamics simulation trajectories. The Journal of Chemical Physics, 113 (18). 7809-7817 doi:10.1063/1.1309534
van Gunsteren, Wilfred F., Berendsen, Herman J. C., Rullmann, Johan A. C. (1978) Inclusion of reaction fields in molecular dynamics. Application to liquid water. Faraday Discussions of the Chemical Society, 66. 58pp. doi:10.1039/dc9786600058
van Gunsteren, Wilfred F., Berendsen, Herman J. C. (1990) MolekĂĽldynamik-Computersimulationen; Methodik, Anwendungen und Perspektiven in der Chemie. Angewandte Chemie, 102 (9). 1020-1055 doi:10.1002/ange.19901020907
Mark, Alan E., van Gunsteren, Wilfred F. (1994) Decomposition of the Free Energy of a System in Terms of Specific Interactions. Journal of Molecular Biology, 240 (2). 167-176 doi:10.1006/jmbi.1994.1430
Steiner, Denise, Oostenbrink, Chris, van Gunsteren, Wilfred F. (2012) Calculation of the relative free energy of oxidation of azurin at pH 5 and pH 9. Journal of Computational Chemistry, 33 (17). 1467-1477 doi:10.1002/jcc.22972
Sch�fer, Heiko, Van Gunsteren, Wilfred F., Mark, Alan E. (1999) Estimating relative free energies from a single ensemble: Hydration free energies. Journal of Computational Chemistry, 20 (15). 1604-1617 doi:10.1002/(sici)1096-987x(19991130)20:15<1604::aid-jcc2>3.0.co;2-a
van Gunsteren, Wilfred F., Daura, Xavier, Mark, Alan E. (2002) Computation of Free Energy. Helvetica Chimica Acta, 85 (10). 3113-3129 doi:10.1002/1522-2675(200210)85:10<3113::aid-hlca3113>3.0.co;2-0
 
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