Free energy calculations for Lennard-Jones systems and water using the expanded ensemble method A Monte Carlo and molecular dynamics simulation study
2016 ◽
Vol 55
(29)
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pp. 8200-8206
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1989 ◽
Vol 91
(6)
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pp. 3631-3637
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2004 ◽
Vol 58
(3)
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pp. 511-517
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2011 ◽
Vol 25
(2)
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pp. 171-180
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2009 ◽
Vol 899
(1-3)
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pp. 1-8
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2018 ◽
Vol 37
(8)
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pp. 2125-2132
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1999 ◽
Vol 20
(8)
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pp. 877-885
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2016 ◽
Vol 35
(4)
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pp. 755-764
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Binding selectivity studies of PKBα using molecular dynamics simulation and free energy calculations
2013 ◽
Vol 19
(11)
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pp. 5097-5112
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