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Shashidhar N. Rao

Observed names: Rao, S.N., S N Rao, S. N. RAO, S. N. Rao, S. NARASINGA RAO, S. Narasinga Rao, S. RAO, S. Rao, S.N. Rao, S.Narasinga Rao, SHASHIDHAR N. RAO, Shashidhar N Rao, Shashidhar N. Rao, Shashidhar Rao
Observed institutions: Rutgers, The State University of New Jersey, Bryn Mawr College, The University of Sydney, University of Central Oklahoma, Indian Institute of Technology Bombay, University of Pittsburgh, University of California, San Francisco, Universidad de Oriente, Schrodinger (United States), University of Madras, Oklahoma Medical Research Foundation, Anna University, Chennai, University of Warwick, International Union of Crystallography, Dr. B. R. Ambedkar Open University, Certara (United States), BIOVIA, University of Oklahoma Health Sciences Center, Indian Institute of Science Bangalore, University of Oklahoma, Universidad Nacional Autónoma de México
OpenAlex ID: A5113501987
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
2006 · Steven L. Dixon, Alexander M. Smondyrev, et al. · Journal of Computer-Aided Molecular Design · 1,213
PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
2006 · Steven L. Dixon, Alexander M. Smondyrev, et al. · Chemical Biology & Drug Design · 687
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Validation Studies of the Site-Directed Docking Program LibDock
2007 · Shashidhar N. Rao, Martha S. Head, et al. · Journal of Chemical Information and Modeling · 415
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Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin
1987 · Shashidhar N. Rao, U. Chandra Singh, et al. · Nature · 226
Potent in vitro and in vivo inhibitors of platelet aggregation based upon the Arg-Gly-Asp-Phe sequence of fibrinogen. A proposal on the nature of the binding interaction between the Arg-guanidine of RGDX mimetics and the platelet GP IIb-IIIa receptor
1993 · Jeffery A. Zablocki, Masateru Miyano, et al. · Journal of Medicinal Chemistry · 106
Protonated 3-fluoropiperidines: an unusual fluoro directing effect and a test for quantitative theories of solvation
1993 · David C. Lankin, Nizal S. Chandrakumar, et al. · Journal of the American Chemical Society · 94
Improving database enrichment through ensemble docking
2008 · Shashidhar Rao, Paul C. Sanschagrin, et al. · Journal of Computer-Aided Molecular Design · 70
The structure of d(CGCGAAT[ ]TCGCG)-d(CGCGAATTCGCG): the incorporation of a thymine photodimer into a B-DNA helix
1984 · Shashidhar N. Rao, Joe W. Keepers, et al. · Nucleic Acids Research · 65
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Free energy calculation on base specificity of drug – DNA interactions: Application to daunomycin and acridine intercalation into DNA
1990 · Piotr Cieplak, Shashidhar N. Rao, et al. · Biopolymers · 56
Design, Synthesis, and Qualitative Structure–Activity Evaluations of Novel β-Secretase Inhibitors as Potential Alzheimer’s Drug Leads
2011 · Taleb H. Al-Tel, Mohammad H. Semreen, et al. · Journal of Medicinal Chemistry · 54
Molecular mechanical simulations on double intercalation of 9-amino acridine into d(CGCGCGC) X d(GCGCGCG): analysis of the physical basis for the neighbor-exclusion principle.
1987 · S N Rao, P A Kollman · Proceedings of the National Academy of Sciences · 50
Rotation-function space groups
1980 · S. N. Rao, J.-H. Hih, et al. · Acta Crystallographica Section A · 45
Rational Design and Synthesis of Potent Dibenzazepine Motifs as β-Secretase Inhibitors
2009 · Taleb H. Al-Tel, Raed A. Al-Qawasmeh, et al. · Journal of Medicinal Chemistry · 41
Potent inhibitors of platelet aggregation based upon the Arg-Gly-Asp-Phe sequence of fibrinogen. A proposal on the nature of the binding interaction between the Asp-carboxylate of RGDX mimetics and the platelet GP IIb-IIIa receptor
1992 · Jeffery A. Zablocki, Masateru Miyano, et al. · Journal of Medicinal Chemistry · 41
Influence of fatty acid and time of focusing on the isoelectric focusing of human plasma albumin
1978 · Sankar P. Basu, S. Narasinga Rao, et al. · Biochimica et Biophysica Acta (BBA) - Protein Structure · 40
On the role of uniform and mixed sugar puckers in DNA double-helical structures
1985 · Shashidhar N. Rao, Peter Kollman · Journal of the American Chemical Society · 38
Conformational studies on model dipeptides of Gly, L ‐Ala and their Cα‐substituted analogs
1995 · KALYANARAMAN RAMNARAYAN, MING FAI CHAN, et al. · International journal of peptide & protein research · 31
Conformations of the noncovalent and covalent complexes between mitomycins A and C and d(GCGCGCGCGC)
1986 · Shashidhar N. Rao, U. Chandra. Singh, et al. · Journal of the American Chemical Society · 31
Synthesis and Spectroscopic Characterization of (CO)6Fe2{μ-EC(H)C(H)E‘} (E ≠ E‘; E, E‘ = S, Se, Te) and (CO)6Fe2{μ-TeC(H)C(H)Te}. Structural Characterization of (CO)6Fe2{μ-SC(Ph)C(H)Se} and (CO)6Fe2{μ-SC(H)C(Ph)Te}
1996 · Pradeep Mathur, Aswini K. Dash, et al. · Organometallics · 27
Simulations of the B‐DNA molecular dynamics of d(CGCGAATTCGCG)2 and d(GCGCGCGCGC)2: An analysis of the role of initial geometry and a comparison of united and all‐atom models
1990 · Shashidhar N. Rao, Peter Kollman · Biopolymers · 27
Conformations of the 8-methylated and unmethylated ribohexamer r(CGCGCG)2
1986 · Shashidhar N. Rao, Peter A. Kollman · Journal of the American Chemical Society · 26
Effects of nucleotide bromination on the stabilities of Z‐RNA and Z‐DNA: A molecular mechanics/thermodynamic perturbation study
1989 · Wilson S. Ross, Charles C. Hardin, et al. · Biopolymers · 23
Conformations of complexes between mitomycins and decanucleotides. 3. Sequence specificity, binding at C-10, and mitomycin analogs
1988 · William A. Remers, Shashidhar N. Rao, et al. · Journal of Medicinal Chemistry · 23
Computational analysis of structural and energetic consequences of DNA methylation
1989 · Frederick H. Hausheer, Shashidhar N. Rao, et al. · Carcinogenesis · 22
Molecular mechanics simulations on covalent complexes between polycyclic carcinogens and B-DNA
1989 · Shashidhar N. Rao, Terry Lybrand, et al. · Carcinogenesis · 22
Works count: 124
Citation count: 3,984
H-index: 23
I10-index: 47
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