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Lambda dynamics

Guo, Z.Y. Brooks in, C.L., Rapid screening of binding affinities application of the lambda-dynamics method to a trypsin-inhibitor system, J. Am. Chem. Soc. 1998,120, 1920-1921... [Pg.170]

X. Kong and C. L. Brooks, Lambda-dynamics a new approach to free energy... [Pg.7]

Kong XJ, Brooks III CL (1996) Lambda dynamics—a new approach to free energy calculations, J Chem Phys, 105 2414-23... [Pg.329]

Guo Z, Brooks CL, Kong X (1998) Efficient and flexible algorithm for free energy calculations using the lambda-dynamics approach, J Phys Chem B, 102 2032—36... [Pg.338]

PBSA), the lambda dynamics approach and the chemical Monte Carlo/Molecular dynamics approach. Success using these methods will depend on their ability to accurately discriminate between structurally diverse compound series and thereby help prioritize the compound series for the medicinal chemists. [Pg.226]

Kong, X.J., Brooks, C.L. Lambda-dynamics A new approach to free energy calculations. J. Chem. Phys. 1996, 105, 2414-23. [Pg.60]

See other pages where Lambda dynamics is mentioned: [Pg.604]    [Pg.492]    [Pg.5]    [Pg.219]    [Pg.226]    [Pg.243]    [Pg.250]    [Pg.4]    [Pg.219]    [Pg.243]    [Pg.250]    [Pg.318]    [Pg.43]    [Pg.588]   
See also in sourсe #XX -- [ Pg.194 ]

See also in sourсe #XX -- [ Pg.203 ]

See also in sourсe #XX -- [ Pg.3 , Pg.6 ]

See also in sourсe #XX -- [ Pg.3 , Pg.6 ]

See also in sourсe #XX -- [ Pg.6 ]



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