Paul R. Gerber, Alan E. Mark, Wilfred F. van Gunsteren An approximate but efficient method to calculate free energy trends by computer simulation: Application to dihydrofolate reductase-inhibitor complexes. [Citation Graph (0, 0)][DBLP] Journal of Computer-Aided Molecular Design, 1993, v:7, n:3, pp:305-323 [Journal]
Alessandra Villa, Ronen Zangi, Gilles Pieffet, Alan E. Mark Sampling and convergence in free energy calculations of protein-ligand interactions: The binding of triphenoxypyridine derivatives to factor Xa and trypsin. [Citation Graph (0, 0)][DBLP] Journal of Computer-Aided Molecular Design, 2003, v:17, n:10, pp:673-686 [Journal]
Alessandra Villa, Alan E. Mark Calculation of the free energy of solvation for neutral analogs of amino acid side chains. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2002, v:23, n:5, pp:548-553 [Journal]
Tsjerk A. Wassenaar, Alan E. Mark The effect of box shape on the dynamic properties of proteins simulated under periodic boundary conditions. [Citation Graph (0, 0)][DBLP] Journal of Computational Chemistry, 2006, v:27, n:3, pp:316-325 [Journal]
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