Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina
Max W. Chang, Christian Ayeni, Sebastian Breuer et al. · PLoS ONE · 2010
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Molecular dynamics simulations and drug discovery
Jacob D Durrant, J Andrew McCammon · BMC Biology · 2011 · Review
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Protoss: a holistic approach to predict tautomers and protonation states in protein-ligand complexes
Stefan Bietz, Sascha Urbaczek, Benjamin Schulz et al. · Journal of Cheminformatics · 2014
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