Phani Ghanakota

According to our database, Phani Ghanakota authored at least 4 papers between 2017 and 2020.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

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, Joshua Staker, Gabriel Marques, Kyle Marshall, Karl Leswing, Robert Abel, Sathesh Bhat

J. Chem. Inf. Model., 2020

2019

Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations.

Phani Ghanakota, Debarati DasGupta, Heather A. Carlson

J. Chem. Inf. Model., 2019

2018

Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces.

Phani Ghanakota, Herman van Vlijmen, Woody Sherman, Thijs Beuming

J. Chem. Inf. Model., 2018

2017

Comparing pharmacophore models derived from crystallography and NMR ensembles.

Phani Ghanakota, Heather A. Carlson

J. Comput. Aided Mol. Des., 2017