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Raman, E. Prabhu
915  Ergebnisse:
Personensuche X
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1

Automated, Accurate, and Scalable Relative Protein–Ligand B..:

Raman, E. Prabhu ; Paul, Thomas J. ; Hayes, Ryan L..
Journal of Chemical Theory and Computation.  16 (2020)  12 - p. 7895-7914 , 2020
Link: https://doi.org/10.1021/..
 
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2

Template-Based Method for Conformation Generation and Scori..:

Raman, E. Prabhu
Journal of Chemical Information and Modeling.  59 (2019)  6 - p. 2690-2701 , 2019
Link: https://doi.org/10.1021/..
 
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3

Estimation of relative free energies of binding using pre‐c..:

Raman, E. Prabhu ; Lakkaraju, Sirish Kaushik ; Denny, Rajiah Aldrin.
Journal of Computational Chemistry.  38 (2016)  15 - p. 1238-1251 , 2016
Link: https://doi.org/10.1002/..
 
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4

Small Molecule Inhibitors of Ca2+-S100B Reveal Two Protein ..:

Cavalier, Michael C. ; Ansari, Mohd. Imran ; Pierce, Adam D....
Journal of Medicinal Chemistry.  59 (2016)  2 - p. 592-608 , 2016
Link: https://doi.org/10.1021/..
 
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5

Spatial Analysis and Quantification of the Thermodynamic Dr..:

Raman, E. Prabhu ; MacKerell Jr., Alexander D.
Journal of the American Chemical Society.  137 (2015)  7 - p. 2608-2621 , 2015
Link: https://doi.org/10.1021/..
 
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6

Pharmacophore Modeling Using Site-Identification by Ligand ..:

Yu, Wenbo ; Lakkaraju, Sirish Kaushik ; Raman, E. Prabhu..
Journal of Chemical Information and Modeling.  55 (2015)  2 - p. 407-420 , 2015
Link: https://doi.org/10.1021/..
 
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7

Mapping Functional Group Free Energy Patterns at Protein Oc..:

Lakkaraju, Sirish Kaushik ; Yu, Wenbo ; Raman, E. Prabhu...
Journal of Chemical Information and Modeling.  55 (2015)  3 - p. 700-708 , 2015
Link: https://doi.org/10.1021/..
 
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8

Sampling of Organic Solutes in Aqueous and Heterogeneous En..:

Lakkaraju, Sirish Kaushik ; Raman, E. Prabhu ; Yu, Wenbo.
Journal of Chemical Theory and Computation.  10 (2014)  6 - p. 2281-2290 , 2014
Link: https://doi.org/10.1021/..
 
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9

Site-Identification by Ligand Competitive Saturation (SILCS..:

Yu, Wenbo ; Lakkaraju, Sirish Kaushik ; Raman, E. Prabhu.
Journal of Computer-Aided Molecular Design.  28 (2014)  5 - p. 491-507 , 2014
Link: https://doi.org/10.1007/..
 
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10

Inclusion of Multiple Fragment Types in the Site Identifica..:

Raman, E. Prabhu ; Yu, Wenbo ; Lakkaraju, Sirish K..
Journal of Chemical Information and Modeling.  53 (2013)  12 - p. 3384-3398 , 2013
Link: https://doi.org/10.1021/..
 
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11

Rapid estimation of hydration thermodynamics of macromolecu..:

Raman, E. Prabhu ; MacKerell Jr., Alexander D.
The Journal of Chemical Physics.  139 (2013)  5 - p. , 2013
Link: https://doi.org/10.1063/..
 
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12

Structure-Based Discovery of a Novel Pentamidine-Related In..:

McKnight, Laura E. ; Raman, E. Prabhu ; Bezawada, Padmavani...
ACS Medicinal Chemistry Letters.  3 (2012)  12 - p. 975-979 , 2012
Link: https://doi.org/10.1021/..
 
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13

Site-Specific Fragment Identification Guided by Single-Step..:

Raman, E. Prabhu ; Vanommeslaeghe, Kenno ; MacKerell Jr., Alexander D.
Journal of Chemical Theory and Computation.  8 (2012)  10 - p. 3513-3525 , 2012
Link: https://doi.org/10.1021/..
 
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14

Automation of the CHARMM General Force Field (CGenFF) II: A..:

Vanommeslaeghe, K. ; Raman, E. Prabhu ; MacKerell Jr., A. D.
Journal of Chemical Information and Modeling.  52 (2012)  12 - p. 3155-3168 , 2012
Link: https://doi.org/10.1021/..
 
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15

Reproducing Crystal Binding Modes of Ligand Functional Grou..:

Raman, E. Prabhu ; Yu, Wenbo ; Guvench, Olgun.
Journal of Chemical Information and Modeling.  51 (2011)  4 - p. 877-896 , 2011
Link: https://doi.org/10.1021/..
 
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