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Rajiah A. Denny
Publication Activity (10 Years)
Years Active: 2010-2017
Publications (10 Years): 2
Top Topics
Computational Models
Free Energy
Systems Engineering
Single Step
Top Venues
J. Comput. Chem.
J. Chem. Inf. Model.
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Publications
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E. Prabhu Raman
,
Sirish Kaushik Lakkaraju
,
Rajiah A. Denny
,
Alexander D. MacKerell Jr.
Estimation of relative free energies of binding using pre-computed ensembles based on the single-step free energy perturbation and the site-identification by Ligand competitive saturation approaches.
J. Comput. Chem.
38 (15) (2017)
Govindan Subramanian
,
Bharath Ramsundar
,
Vijay S. Pande
,
Rajiah A. Denny
Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches.
J. Chem. Inf. Model.
56 (10) (2016)
Kristi Yi Fan
,
Raymond J. Unwalla
,
Rajiah A. Denny
,
Li Di
,
Edward H. Kerns
,
David J. Diller
,
Christine Humblet
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches.
J. Chem. Inf. Model.
50 (6) (2010)