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 (CompLife, 2006)

Automated Molecular Simulation Based Binding Affinity Calculator for Ligand-Bound HIV-1 Proteases. - S. Kashif Sadiq; David W. Wright 001; Simon J. Watson 002; Stefan J. Zasada; Ileana Stoica; Peter V. Coveney (J. Chem. Inf. Model., 2008)

Accurate Ensemble Molecular Dynamics Binding Free Energy Ranking of Multidrug-Resistant HIV-1 Proteases. - S. Kashif Sadiq; David W. Wright 001; Owain Kenway; Peter V. Coveney (J. Chem. Inf. Model., 2010)

Gag-Pol Processing during HIV-1 Virion Maturation: A Systems Biology Approach. - Balázs Könnyü; S. Kashif Sadiq; Tamás Turányi; Rita Hírmondó; Barbara Müller; Hans-Georg Kräusslich; Peter V. Coveney; Viktor Müller (PLoS Comput. Biol., 2013)

Conformational Analysis of Heparin-Analogue Pentasaccharides by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations. - Gábor Dániel Balogh; Tamás Gyöngyösi; István Timári; Mihály Herczeg; Anikó Borbás; S. Kashif Sadiq; Krisztina Fehér; Katalin E. Kövér (J. Chem. Inf. Model., 2021)