Phani Ghanakota
6PUBLICATIONS
11CO-AUTHORS
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Publications (6)
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|Feb 20, 2025
Predicting Resistance to Small Molecule Kinase Inhibitors.Anu Nagarajan, Katherine Amberg-Johnson, Evan Paull
|Jul 10, 2023
Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.Silvana Leit, Jeremy Greenwood, Samantha Carriero
|Mar 29, 2021
Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.Edward B Miller, Robert B Murphy, Daniel Sindhikara
|Jun 03, 2020
Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization.Phani Ghanakota, Pieter H Bos, Kyle D Konze
|Apr 25, 2019
Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations.Phani Ghanakota, Debarati DasGupta, Heather A Carlson
|Apr 05, 2018
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces.Phani Ghanakota, Herman van Vlijmen, Woody Sherman
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Frequent Collaborators
1 joint publications
Heather A Carlson
1 joint publications
Pieter H Bos
1 joint publications
Joshua Staker
1 joint publications
Sathesh Bhat
1 joint publications
Edward B Miller
1 joint publications
Richard A Friesner
1 joint publications
Scott D Edmondson
1 joint publications
Jared M Sampson
1 joint publications
Lingle Wang
1 joint publications
Robert Abel
