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Sirish Kaushik Lakkaraju

Bristol-Myers Squibb (Germany) DE

ORCID iD 0000-0003-1553-5780
47
Publications
984
Citations
16
H-Index
20
i10-Index
1.0
2yr Mean Cite
-
Cite/Paper
Data combined from OpenAlex . OA = OpenAlex S2 = Semantic Scholar
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Publication & Citation Trends

Most Cited Works

Inclusion of Multiple Fragment Types in the Site Identification by Ligand Competitive Saturation (SILCS) Approach OA
E. Prabhu Raman, Wenbo Yu, Sirish Kaushik Lakkaraju, Alexander D. MacKerell
Journal of Chemical Information and Modeling 2013
135
Sampling of Organic Solutes in Aqueous and Heterogeneous Environments Using Oscillating Excess Chemical Potentials in Grand Canonical-like Monte Carlo-Molecular Dynamics Simulations
Sirish Kaushik Lakkaraju, E. Prabhu Raman, Wenbo Yu, Alexander D. MacKerell
Journal of Chemical Theory and Computation 2014
100
Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules
Wenbo Yu, Sirish Kaushik Lakkaraju, E. Prabhu Raman, Lei Fang, Alexander D. MacKerell
Journal of Chemical Information and Modeling 2015
81
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization OA
Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, Wenbo Yu, Wenjuan Jiang +1 more
Journal of Chemical Information and Modeling 2019
80
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling OA
Wenbo Yu, Sirish Kaushik Lakkaraju, E. Prabhu Raman, Alexander D. MacKerell
Journal of Computer-Aided Molecular Design 2014
67

Publications

47 total

Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field PDF

Lorenzo D’Amore, David F. Hahn, David Dotson, Joshua T. Horton, Jamshed Anwar et al. - Journal of Chemical Information and Modeling, 2022
Cited by 25 OpenAlex

Structure of the human marker of self 5-transmembrane receptor CD47 PDF

Gustavo Fenalti, Nicolas Villanueva, Mark T. Griffith, Barbra Pagarigan, Sirish Kaushik Lakkaraju et al. - Nature Communications, 2021
Cited by 48 OpenAlex

Identification and characterization of fragment binding sites for allosteric ligand design using the site identification by ligand competitive saturation hotspots approach (SILCS-Hotspots) PDF

Alexander D. MacKerell, Sunhwan Jo, Sirish Kaushik Lakkaraju, Christoffer Lind, Wenbo Yu - Biochimica et Biophysica Acta (BBA) - General Subjects, 2020
Cited by 66 OpenAlex

Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization PDF

Vincent D. Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo, Wenbo Yu, Wenjuan Jiang et al. - Journal of Chemical Information and Modeling, 2019
Cited by 80 OpenAlex

Exploring protein‐protein interactions using the site‐identification by ligand competitive saturation methodology

Wenbo Yu, Sunhwan Jo, Sirish Kaushik Lakkaraju, David J. Weber, Alexander D. MacKerell - Proteins Structure Function and Bioinformatics, 2018
Cited by 34 OpenAlex

Determination of Ionic Hydration Free Energies with Grand Canonical Monte Carlo/Molecular Dynamics Simulations in Explicit Water PDF

Delin Sun, Sirish Kaushik Lakkaraju, Sunhwan Jo, Alexander D. MacKerell - Journal of Chemical Theory and Computation, 2018
Cited by 25 OpenAlex

Characterization of Mg <sup>2+</sup> Distributions around RNA in Solution PDF

Justin A. Lemkul, Sirish Kaushik Lakkaraju, Alexander D. MacKerell - ACS Omega, 2016
Cited by 42 OpenAlex

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

E. Prabhu Raman, Sirish Kaushik Lakkaraju, R. Aldrin Denny, Alexander D. MacKerell - Journal of Computational Chemistry, 2016
Cited by 34 OpenAlex

Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules

Wenbo Yu, Sirish Kaushik Lakkaraju, E. Prabhu Raman, Lei Fang, Alexander D. MacKerell - Journal of Chemical Information and Modeling, 2015
Cited by 81 OpenAlex

Mapping Functional Group Free Energy Patterns at Protein Occluded Sites: Nuclear Receptors and G-Protein Coupled Receptors PDF

Sirish Kaushik Lakkaraju, Wenbo Yu, E. Prabhu Raman, Alena Hershfeld, Lei Fang et al. - Journal of Chemical Information and Modeling, 2015
Cited by 63 OpenAlex

Research Topics

Protein Structure and Dynamics (17) Computational Drug Discovery Methods (14) Receptor Mechanisms and Signaling (12) Microtubule and mitosis dynamics (5) Machine Learning in Materials Science (5)

Frequent Co-Authors

AL
Alexander D. MacKerell
13 joint publications
WE
Wenbo Yu
9 joint publications
E.
E. Prabhu Raman
7 joint publications
SU
Sunhwan Jo
4 joint publications
LE
Lei Fang
3 joint publications
VI
Vincent D. Ustach
1 joint publication

Affiliations

University of Maryland, Baltimore
US 2016 - 2013
Bristol-Myers Squibb (Germany)
DE 2026 - 2024
Bristol-Myers Squibb (United States)
US 2022 - 2021
SilcsBio (United States)
US 2020 - 2018
Bristol-Myers Squibb (Sweden)
SE 2026 - 2024

External Profiles

OpenAlex Profile Search Semantic Scholar ORCID Profile Google Scholar

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