Sirish Kaushik Lakkaraju

5PUBLICATIONS
40CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsBiomolecular modelling and designComputational chemistryChemical and thermal processes in energy and combustion
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Publications (5)

|May 21, 2026
Large-Scale Collaborative Assessment of Binding Free Energy Calculations for Drug Discovery Using OpenFE.

|Jan 31, 2026
Covalent inhibitor design confers activity against both GDP- and GTP-bound forms of KRAS G12C.

Matthew L Condakes, Zhuo Zhang, Derek B Danahy

|Nov 26, 2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.

Lorenzo D'Amore, David F Hahn, David L Dotson

|Apr 05, 2021
Insights into Glucose-6-phosphate Allosteric Activation of β-Glucosidase A.

Anderson A Gomes, Gustavo F da Silva, Sirish K Lakkaraju

|Apr 30, 2019
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization.

Vincent D Ustach, Sirish Kaushik Lakkaraju, Sunhwan Jo

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Frequent Collaborators

2 joint publications

Alexander D MacKerell

2 joint publications

Gary Tresadern

2 joint publications

Christina E M Schindler

1 joint publications

Maria de Lourdes B Magalhães