G. Madhavi Sastry

According to our database, G. Madhavi Sastry authored at least 9 papers between 2005 and 2016.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2016

Highly efficient implementation of pseudospectral time-dependent density-functional theory for the calculation of excitation energies of large molecules.

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

J. Comput. Chem., 2016

2013

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

J. Chem. Inf. Model., 2013

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

G. Madhavi Sastry, Matvey Adzhigirey, Tyler Day, Ramakrishna Annabhimoju, Woody Sherman

J. Comput. Aided Mol. Des., 2013

2011

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

J. Chem. Inf. Model., 2011

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods.

Jianxin Duan, G. Madhavi Sastry, Steven L. Dixon, Jeffrey F. Lowrie, Woody Sherman

J. Cheminformatics, 2011

2010

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments.

G. Madhavi Sastry, Jeffrey F. Lowrie, Steven L. Dixon, Woody Sherman

J. Chem. Inf. Model., 2010

2008

Protein ligand interaction database (PLID).

A. Srinivas Reddy, H. S. Durga Amarnath, Raju S. Bapi, G. Madhavi Sastry, G. Narahari Sastry

Comput. Biol. Chem., 2008

2006

Homology modeling of membrane proteins: A critical assessment.

Ch. Surendhar Reddy, K. Vijayasarathy, E. Srinivas, G. Madhavi Sastry, G. Narahari Sastry

Comput. Biol. Chem., 2006

2005

Active site acidic residues and structural analysis of modelled human aromatase: A potential drug target for breast cancer.

J. Narashima Murthy, M. Nagaraju, G. Madhavi Sastry, A. Raghuram Rao, G. Narahari Sastry

J. Comput. Aided Mol. Des., 2005