Phani Ghanakota

Publication Activity (10 Years)

Years Active: 2017-2020
Publications (10 Years): 4

Top Topics

Machine Learning

Protein Interaction

Deterministic Annealing

Protein Protein

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Phani Ghanakota, Pieter H. Bos, Kyle D. Konze, Joshua Staker, Gabriel Marques, Kyle Marshall, Karl Leswing, Robert Abel, Sathesh Bhat
Combining Cloud-Based Free-Energy Calculations, Synthetically Aware Enumerations, and Goal-Directed Generative Machine Learning for Rapid Large-Scale Chemical Exploration and Optimization. J. Chem. Inf. Model. 60 (9) (2020)
Phani Ghanakota, Debarati DasGupta, Heather A. Carlson
Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations. J. Chem. Inf. Model. 59 (5) (2019)
Phani Ghanakota, Herman van Vlijmen, Woody Sherman, Thijs Beuming
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces. J. Chem. Inf. Model. 58 (4) (2018)
Phani Ghanakota, Heather A. Carlson
Comparing pharmacophore models derived from crystallography and NMR ensembles. J. Comput. Aided Mol. Des. 31 (11) (2017)