Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Linear interaction energy method

The linear interaction energy method allows the approximation of the free energy of binding using the relationships64... [Pg.29]

The Linear Interaction Energy Method for Computation of Ligand Binding Affinities... [Pg.171]

J. Aqvist and J. Marelius, The linear interaction energy method for predicting ligand... [Pg.193]

Almlof M, Carlsson J, Aqvist J (2007) Improving the accuracy of the linear interaction energy method for solvation free energies. J Chem Theory Comput 3(6) 2162-2175... [Pg.111]

Almlof M, Brandsdal BO, Aqvist J (2004) Binding affinity prediction with different force fields examination of the linear interaction energy method. J Comput Chem 25(10) 1242-1254... [Pg.111]

Hansson T, Marelius J, Aqvist J (1998) Ligand binding affinity prediction by linear interaction energy methods. J Comput Aided Mol Des 12(l) 27-35... [Pg.111]

Wang W, Wang J, Kollman PA (1999) What determines the van der Waals coefficient 3 in die LIE (linear interaction energy) method to estimate binding free energies using molecular dynamic simulation, Proteins, 34 395 102... [Pg.330]

Wall ID, Leach AR, Salt DW, Ford MG, Essex JW (1999) Binding constants of neuraminidase inhibitors an investigation of the linear interaction energy method, J Med Chem, 42 5142—5152... [Pg.331]

Binding Affinity Prediction by Linear Interaction Energy Methods. [Pg.81]

Binding Constants of Neuraminidase Inhibitors An Investigation of the Linear Interaction Energy Method. [Pg.82]


See other pages where Linear interaction energy method is mentioned: [Pg.654]    [Pg.654]    [Pg.460]    [Pg.35]    [Pg.173]    [Pg.175]    [Pg.177]    [Pg.179]    [Pg.181]    [Pg.183]    [Pg.185]    [Pg.187]    [Pg.189]    [Pg.191]    [Pg.193]    [Pg.194]    [Pg.403]    [Pg.329]    [Pg.34]    [Pg.173]    [Pg.175]    [Pg.177]    [Pg.179]    [Pg.181]    [Pg.183]    [Pg.185]    [Pg.187]    [Pg.189]    [Pg.191]    [Pg.193]    [Pg.194]   
See also in sourсe #XX -- [ Pg.120 ]

See also in sourсe #XX -- [ Pg.120 ]

See also in sourсe #XX -- [ Pg.269 , Pg.566 ]

See also in sourсe #XX -- [ Pg.120 ]

See also in sourсe #XX -- [ Pg.475 ]




SEARCH



Energy methods

Interaction Methods

Interaction energy

Linear interaction energy

Linear methods

Linearized methods

The Linear Interaction Energy (LIE) Method

© 2024 chempedia.info