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Journal Articles
- 2016
[j9]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): 1425-1441 (2016)- 2013
- [j8]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): 221-234 (2013) - [j7]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): 1531-1542 (2013) - 2011
- [j6]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): 1 (2011) - [j5]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): 2455-2466 (2011) - 2010
- [j4]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): 771-784 (2010) - 2008
- [j3]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): 387-390 (2008) - 2006
- [j2]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): 120-126 (2006) - 2005
- [j1]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): 857-870 (2005)
Coauthor Index
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