Absolute and Relative Entropies from Computer Simulation with Applications to Ligand BindingJens Carlsson, Johan Åqvist|The Journal of Physical Chemistry B|2005Cited by 139
Improving the Accuracy of the Linear Interaction Energy Method for Solvation Free EnergiesMartin Almlöf, Johan Åqvist, Jens Carlsson|Journal of Chemical Theory and Computation|2007Cited by 124
Combining Docking, Molecular Dynamics and the Linear Interaction Energy Method to Predict Binding Modes and Affinities for Non-nucleoside Inhibitors to HIV-1 Reverse TranscriptaseJens Carlsson, Johan Åqvist, Lars Boukharta|Journal of Medicinal Chemistry|2008Cited by 89
Structures of Mycobacterium tuberculosis 1-Deoxy-D-xylulose-5-phosphate Reductoisomerase Provide New Insights into CatalysisL.M. Henriksson, T. Alwyn Jones, Sherry L. Mowbray et al.|Journal of Biological Chemistry|2007Cited by 87
Calculations of solute and solvent entropies from molecular dynamics simulationsJens Carlsson, Johan Åqvist|Physical Chemistry Chemical Physics|2006Cited by 77