E-LIB Suche - Ergebnisse für: Lakkaraju, Sirish Kaushik

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

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/..

5

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/..

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

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/..

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

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/..

12

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/..

13

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/..

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/..