Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations of the Inhibitor Saquinavir

S. Kashif Sadiq, Stefan J. Zasada, Peter V. Coveney. Grid Assisted Ensemble Molecular Dynamics Simulations of HIV-1 Proteases Reveal Novel Conformations of the Inhibitor Saquinavir. In Michael R. Berthold, Robert C. Glen, Ingrid Fischer, editors, Computational Life Sciences II, Second International Symposium, CompLife 2006, Cambridge, UK, September 27-29, 2006, Proceedings. Volume 4216 of Lecture Notes in Computer Science, pages 150-161, Springer, 2006. [doi]

Abstract

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