E. Prabhu Raman

Publication Activity (10 Years)

Years Active: 2011-2019
Publications (10 Years): 2

Top Topics

Protein Families

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Comput. Aided Mol. Des.

Publications

E. Prabhu Raman
Template-Based Method for Conformation Generation and Scoring for Congeneric Series of Ligands. J. Chem. Inf. Model. 59 (6) (2019)
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)
Wenbo Yu, Sirish Kaushik Lakkaraju, E. Prabhu Raman, Lei Fang, Alexander D. MacKerell Jr.
Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules. J. Chem. Inf. Model. 55 (2) (2015)
Sirish Kaushik Lakkaraju, Wenbo Yu, E. Prabhu Raman, Alena V. Hershfeld, Lei Fang, Deepak Deshpande, Alexander D. MacKerell Jr.
Mapping Functional Group Free Energy Patterns at Protein Occluded Sites: Nuclear Receptors and G-Protein Coupled Receptors. J. Chem. Inf. Model. 55 (3) (2015)
Wenbo Yu, Sirish Kaushik Lakkaraju, E. Prabhu Raman, Alexander D. MacKerell Jr.
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling. J. Comput. Aided Mol. Des. 28 (5) (2014)
E. Prabhu Raman, Wenbo Yu, Sirish Kaushik Lakkaraju, Alexander D. MacKerell Jr.
Inclusion of Multiple Fragment Types in the Site Identification by Ligand Competitive Saturation (SILCS) Approach. J. Chem. Inf. Model. 53 (12) (2013)
Kenno Vanommeslaeghe, E. Prabhu Raman, Alexander D. MacKerell Jr.
Automation of the CHARMM General Force Field (CGenFF) II: Assignment of Bonded Parameters and Partial Atomic Charges. J. Chem. Inf. Model. 52 (12) (2012)
Taiji Oashi, Ashley L. Ringer, E. Prabhu Raman, Alexander D. MacKerell Jr.
Automated Selection of Compounds with Physicochemical Properties To Maximize Bioavailability and Druglikeness. J. Chem. Inf. Model. 51 (1) (2011)
E. Prabhu Raman, Wenbo Yu, Olgun Guvench, Alexander D. MacKerell Jr.
Reproducing Crystal Binding Modes of Ligand Functional Groups Using Site-Identification by Ligand Competitive Saturation (SILCS) Simulations. J. Chem. Inf. Model. 51 (4) (2011)