G. Madhavi Sastry

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day et al. · Journal of Computer-Aided Molecular Design · 2013 · 6K citations

Life Sciences, Biochemistry, Bioinformatics +14

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring

G. Madhavi Sastry, Steven L. Dixon, Woody Sherman · Journal of Chemical Information and Modeling · 2011 · 245 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Interactions between Hofmeister Anions and the Binding Pocket of a Protein

Jerome M. Fox, Kyungtae Kang, Woody Sherman et al. · Journal of the American Chemical Society · 2015 · 104 citations · Full text

Natural Sciences, Biochemistry, Chemistry +17

Aromatic–Aromatic Interactions Database, A2ID: An analysis of aromatic π-networks in proteins

Mukesh Chourasia, G. Madhavi Sastry, G. Narahari Sastry · International Journal of Biological Macromolecules · 2011 · 95 citations

Life Sciences, Biochemistry, Bioinformatics +14

Boosting Virtual Screening Enrichments with Data Fusion: Coalescing Hits from Two-Dimensional Fingerprints, Shape, and Docking

G. Madhavi Sastry, V. S. Sandeep Inakollu, Woody Sherman · Journal of Chemical Information and Modeling · 2013 · 80 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17