PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching
Dixon, Steven L., Smondyrev, Alexander M., Rao, Shashidhar N.
Published in Chemical biology & drug design (01.05.2006)
Published in Chemical biology & drug design (01.05.2006)
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Journal Article
Validation Studies of the Site-Directed Docking Program LibDock
Rao, Shashidhar N, Head, Martha S, Kulkarni, Amit, LaLonde, Judith M
Published in Journal of chemical information and modeling (01.11.2007)
Published in Journal of chemical information and modeling (01.11.2007)
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Journal Article
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results
Dixon, Steven L, Smondyrev, Alexander M, Knoll, Eric H, Rao, Shashidhar N, Shaw, David E, Friesner, Richard A
Published in Journal of computer-aided molecular design (01.10.2006)
Published in Journal of computer-aided molecular design (01.10.2006)
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Journal Article
Experimental conformational energy maps of proteins and peptides
Balaji, Govardhan A., Nagendra, H. G., Balaji, Vitukudi N., Rao, Shashidhar N.
Published in Proteins, structure, function, and bioinformatics (01.06.2017)
Published in Proteins, structure, function, and bioinformatics (01.06.2017)
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Journal Article
Comprehending renin inhibitor’s binding affinity using structure-based approaches
Subramanian, Govindan, Rao, Shashidhar N.
Published in Bioorganic & medicinal chemistry letters (15.12.2013)
Published in Bioorganic & medicinal chemistry letters (15.12.2013)
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Journal Article
An integrated computational workflow for efficient and quantitative modeling of renin inhibitors
Subramanian, Govindan, Rao, Shashidhar N.
Published in Bioorganic & medicinal chemistry (15.01.2012)
Published in Bioorganic & medicinal chemistry (15.01.2012)
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Journal Article
TRPV1 antagonism by piperazinyl-aryl compounds: A Topomer-CoMFA study and its use in virtual screening for identification of novel antagonists
Kristam, Rajendra, Rao, Shashidhar N., D’Cruz, Anne Sudha, Mahadevan, Vijayalakshmi, Viswanadhan, Vellarkad N.
Published in Journal of molecular graphics & modelling (01.03.2017)
Published in Journal of molecular graphics & modelling (01.03.2017)
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Journal Article
Design, Synthesis, and Qualitative Structure–Activity Evaluations of Novel β-Secretase Inhibitors as Potential Alzheimer’s Drug Leads
Al-Tel, Taleb H, Semreen, Mohammad H, Al-Qawasmeh, Raed A, Schmidt, Marco F, El-Awadi, Raafat, Ardah, Mustafa, Zaarour, Rania, Rao, Shashidhar N, El-Agnaf, Omar
Published in Journal of medicinal chemistry (22.12.2011)
Published in Journal of medicinal chemistry (22.12.2011)
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Journal Article
Molecular docking studies in factor XIa binding site
Balaji, Govardhan A., Balaji, Vitukudi N., Rao, Shashidhar N.
Published in Journal of molecular structure (15.03.2016)
Published in Journal of molecular structure (15.03.2016)
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Journal Article
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
Zablocki, Jeffery A, Miyano, Masateru, Garland, Robert B, Pireh, Daisy, Schretzman, Lori, Rao, Shashidhar N, Lindmark, Richard J, Panzer-Knodle, Susan G, Nicholson, Nancy S
Published in Journal of medicinal chemistry (01.06.1993)
Published in Journal of medicinal chemistry (01.06.1993)
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Journal Article
Protonated 3-fluoropiperidines: an unusual fluoro directing effect and a test for quantitative theories of solvation
Lankin, David C, Chandrakumar, Nizal S, Rao, Shashidhar N, Spangler, Dale P, Snyder, James P
Published in Journal of the American Chemical Society (01.04.1993)
Published in Journal of the American Chemical Society (01.04.1993)
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Journal Article
N-Substituted dibenzoxazepines as analgesic PGE2 antagonists
Hallinan, E. Ann, Hagen, Timothy J, Husa, Robert K, Tsymbalov, Sofya, Rao, Shashidhar N, vanHoeck, Jean Pierre, Rafferty, Michael F, Stapelfeld, Awilda, Savage, Michael A, Reichman, Melvin
Published in Journal of medicinal chemistry (01.10.1993)
Published in Journal of medicinal chemistry (01.10.1993)
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