G. Madhavi Sastry

Publication Activity (10 Years)

Years Active: 2005-2016
Publications (10 Years): 1

Top Topics

Chemical Structures

Virtual Screening

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Yixiang X. Cao, Thomas Hughes, Dave Giesen, Mathew D. Halls, Alexander Goldberg, Tati Reddy Vadicherla, G. Madhavi Sastry, Bhargav Patel, Woody Sherman, Andrew L. Weisman, Richard A. Friesner
Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules. J. Comput. Chem. 37 (16) (2016)
G. Madhavi Sastry, V. S. Sandeep Inakollu, Woody Sherman
Boosting Virtual Screening Enrichments with Data Fusion: Coalescing Hits from Two-Dimensional Fingerprints, Shape, and Docking. J. Chem. Inf. Model. 53 (7) (2013)
G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day, Ramakrishna Annabhimoju, Woody Sherman
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments. J. Comput. Aided Mol. Des. 27 (3) (2013)
G. Madhavi Sastry, Steven L. Dixon, Woody Sherman
Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring. J. Chem. Inf. Model. 51 (10) (2011)
Jianxin Duan, G. Madhavi Sastry, Steven L. Dixon, Jeffrey F. Lowrie, Woody Sherman
Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods. J. Cheminformatics 3 (S-1) (2011)
G. Madhavi Sastry, Jeffrey F. Lowrie, Steven L. Dixon, Woody Sherman
Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments. J. Chem. Inf. Model. 50 (5) (2010)
A. Srinivas Reddy, H. S. Durga Amarnath, Raju S. Bapi, G. Madhavi Sastry, G. Narahari Sastry
Protein ligand interaction database (PLID). Comput. Biol. Chem. 32 (5) (2008)
Ch. Surendhar Reddy, K. Vijayasarathy, E. Srinivas, G. Madhavi Sastry, G. Narahari Sastry
Homology modeling of membrane proteins: A critical assessment. Comput. Biol. Chem. 30 (2) (2006)
J. Narashima Murthy, M. Nagaraju, G. Madhavi Sastry, A. Raghuram Rao, G. Narahari Sastry
Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer. J. Comput. Aided Mol. Des. 19 (12) (2005)