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Raman, E. Prabhu
921
results:
Search for persons
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Format
Online (921)
Mediatypes
E-Books (4)
Articles (Online) (802)
Bookchapter (Online) (86)
OpenAccess-fulltext (29)
Languages
english (867)
french (1)
Sorted by: Relevance
Sorted by: Year
?
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/..
?
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/..
?
3
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/..
?
4
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/..
?
5
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/..
?
6
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/..
?
7
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/..
?
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/..
?
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/..
?
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/..
?
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/..
?
12
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/..
?
13
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/..
?
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/..
?
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/..
1-15