Sirish Kaushik Lakkaraju
Orcid: 0000-0003-1553-5780
According to our database1,
Sirish Kaushik Lakkaraju
authored at least 11 papers
between 2013 and 2024.
Collaborative distances:
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Bibliography
2024
MDFit: automated molecular simulations workflow enables high throughput assessment of ligands-protein dynamics.
J. Comput. Aided Mol. Des., December, 2024
2022
Collaborative Assessment of Molecular Geometries and Energies from the Open Force Field.
J. Chem. Inf. Model., 2022
2021
J. Chem. Inf. Model., 2021
2019
Optimization and Evaluation of Site-Identification by Ligand Competitive Saturation (SILCS) as a Tool for Target-Based Ligand Optimization.
J. Chem. Inf. Model., 2019
2017
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.
J. Comput. Chem., 2017
2016
DIRECT-ID: An automated method to identify and quantify conformational variations - application to β<sub>2</sub>-adrenergic GPCR.
J. Comput. Chem., 2016
2015
Pharmacophore Modeling Using Site-Identification by Ligand Competitive Saturation (SILCS) with Multiple Probe Molecules.
J. Chem. Inf. Model., 2015
Mapping Functional Group Free Energy Patterns at Protein Occluded Sites: Nuclear Receptors and G-Protein Coupled Receptors.
J. Chem. Inf. Model., 2015
2014
Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling.
J. Comput. Aided Mol. Des., 2014
2013
Inclusion of Multiple Fragment Types in the Site Identification by Ligand Competitive Saturation (SILCS) Approach.
J. Chem. Inf. Model., 2013
Estimation of Ligand Efficacies of Metabotropic Glutamate Receptors from Conformational Forces Obtained from Molecular Dynamics Simulations.
J. Chem. Inf. Model., 2013