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Lakkaraju, Sirish Kaushik
44
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Online (44)
Mediatypes
Articles (Online) (20)
Bookchapter (Online) (1)
OpenAccess-fulltext (23)
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?
1
Collaborative Assessment of Molecular Geometries and Energi..:
D'Amore, Lorenzo
;
Hahn, David F.
;
Dotson, David L.
...
Journal of Chemical Information and Modeling. 62 (2022) 23 - p. 6094-6104 , 2022
Link:
https://doi.org/10.1021/..
?
2
Structure of the human marker of self 5-transmembrane recep..:
Fenalti, Gustavo
;
Villanueva, Nicolas
;
Griffith, Mark
...
Nature Communications. 12 (2021) 1 - p. , 2021
Link:
https://doi.org/10.1038/..
?
3
Identification and characterization of fragment binding sit..:
MacKerell Jr, Alexander D.
;
Jo, Sunhwan
;
Lakkaraju, Sirish Kaushik
..
Biochimica et Biophysica Acta (BBA) - General Subjects. 1864 (2020) 4 - p. 129519 , 2020
Link:
https://doi.org/10.1016/..
?
4
Exploring protein‐protein interactions using the site‐ident..:
Yu, Wenbo
;
Jo, Sunhwan
;
Lakkaraju, Sirish Kaushik
..
Proteins: Structure, Function, and Bioinformatics. 87 (2019) 4 - p. 289-301 , 2019
Link:
https://doi.org/10.1002/..
?
5
Optimization and Evaluation of Site-Identification by Ligan..:
Ustach, Vincent D.
;
Lakkaraju, Sirish Kaushik
;
Jo, Sunhwan
...
Journal of Chemical Information and Modeling. 59 (2019) 6 - p. 3018-3035 , 2019
Link:
https://doi.org/10.1021/..
?
6
Determination of Ionic Hydration Free Energies with Grand C..:
Sun, Delin
;
Lakkaraju, Sirish Kaushik
;
Jo, Sunhwan
.
Journal of Chemical Theory and Computation. 14 (2018) 10 - p. 5290-5302 , 2018
Link:
https://doi.org/10.1021/..
?
7
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/..
?
8
Conformational Heterogeneity of Intracellular Loop 3 of the..:
Huang, Jing
;
Lakkaraju, Sirish Kaushik
;
Coop, Andrew
.
The Journal of Physical Chemistry B. 120 (2016) 46 - p. 11897-11904 , 2016
Link:
https://doi.org/10.1021/..
?
9
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/..
?
10
DIRECT‐ID: An automated method to identify and quantify con..:
Lakkaraju, Sirish Kaushik
;
Lemkul, Justin A.
;
Huang, Jing
.
Journal of Computational Chemistry. 37 (2015) 4 - p. 416-425 , 2015
Link:
https://doi.org/10.1002/..
?
11
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/..
?
12
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/..
?
13
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/..
?
14
Estimation of Ligand Efficacies of Metabotropic Glutamate R..:
Lakkaraju, Sirish Kaushik
;
Xue, Fengtian
;
Faden, Alan I.
.
Journal of Chemical Information and Modeling. 53 (2013) 6 - p. 1337-1349 , 2013
Link:
https://doi.org/10.1021/..
?
15
Critical Buckling Length versus Persistence Length: What Go..:
Lakkaraju, Sirish Kaushik
;
Hwang, Wonmuk
Physical Review Letters. 102 (2009) 11 - p. , 2009
Link:
https://doi.org/10.1103/..
1-15