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ORCIDE. Prabhu Raman
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2010 – 2019
- 2019
[j9]E. Prabhu Raman
:
Template-Based Method for Conformation Generation and Scoring for Congeneric Series of Ligands. J. Chem. Inf. Model. 59(6): 2690-2701 (2019)- 2017
- [j8]E. Prabhu Raman, Sirish Kaushik Lakkaraju, Rajiah Aldrin 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): 1238-1251 (2017) - 2015
- [j7]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): 407-420 (2015) - [j6]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): 700-708 (2015) - 2014
- [j5]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): 491-507 (2014) - 2013
- [j4]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): 3384-3398 (2013) - 2012
- [j3]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): 3155-3168 (2012) - 2011
- [j2]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): 148-158 (2011) - [j1]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): 877-896 (2011)
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