Some computational aspects of theoretical anti-HIV drug design
Cieplak, P.
Acta Poloniae Pharmaceutica 57 Suppl: 33-36
2000
ISSN/ISBN: 0001-6837 PMID: 11293258 Document Number: 522231
The three computational methods, the free energy perturbation (FEP), free energy derivative (FED) and continuum solvent molecular dynamics post analysis methods are presented. Application of the FEP method to improve binding properties of the aspartic protease JG-365 inhibitor has been demonstrated.
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