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The Journal of Physical Chemistry. B
|
June 4, 2016
Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems
Phani Ghanakota, Heather A Carlson
Journal of Computer-Aided Molecular Design
|
October 20, 2017
Comparing pharmacophore models derived from crystallography and NMR ensembles
Phani Ghanakota, Heather A Carlson
Journal of Medicinal Chemistry
|
August 4, 2016
Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics
Phani Ghanakota, Heather A Carlson
Journal of Chemical Information and Modeling
|
April 25, 2019
Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations
Phani Ghanakota, Debarati DasGupta, Heather A Carlson
Journal of Chemical Information and Modeling
|
April 5, 2018
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces
Phani Ghanakota, Herman van Vlijmen, Woody Sherman, et al.
Biopolymers
|
September 20, 2015
Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test case
Peter M U Ung, Phani Ghanakota, Sarah E Graham, et al.
Journal of Chemical Information and Modeling
|
June 3, 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, et al.
Molecular Pharmaceutics
|
August 12, 2015
Substrate-Competitive Activity-Based Profiling of Ester Prodrug Activating Enzymes
Hao Xu, Jaimeen D Majmudar, Dahvid Davda, et al.
Bioorganic & Medicinal Chemistry
|
February 7, 2021
Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods
Leah N Makley, Oleta T Johnson, Phani Ghanakota, et al.
Journal of Chemical Information and Modeling
|
February 20, 2025
Predicting Resistance to Small Molecule Kinase Inhibitors
Anu Nagarajan, Katherine Amberg-Johnson, Evan Paull, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 13) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
June 4, 2016
Moving Beyond Active-Site Detection: MixMD Applied to Allosteric Systems
Phani Ghanakota, Heather A Carlson
Journal of Computer-Aided Molecular Design
|
October 20, 2017
Comparing pharmacophore models derived from crystallography and NMR ensembles
Phani Ghanakota, Heather A Carlson
Journal of Medicinal Chemistry
|
August 4, 2016
Driving Structure-Based Drug Discovery through Cosolvent Molecular Dynamics
Phani Ghanakota, Heather A Carlson
Journal of Chemical Information and Modeling
|
April 25, 2019
Free Energies and Entropies of Binding Sites Identified by MixMD Cosolvent Simulations
Phani Ghanakota, Debarati DasGupta, Heather A Carlson
Journal of Chemical Information and Modeling
|
April 5, 2018
Large-Scale Validation of Mixed-Solvent Simulations to Assess Hotspots at Protein-Protein Interaction Interfaces
Phani Ghanakota, Herman van Vlijmen, Woody Sherman, et al.
Biopolymers
|
September 20, 2015
Identifying binding hot spots on protein surfaces by mixed-solvent molecular dynamics: HIV-1 protease as a test case
Peter M U Ung, Phani Ghanakota, Sarah E Graham, et al.
Journal of Chemical Information and Modeling
|
June 3, 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, et al.
Molecular Pharmaceutics
|
August 12, 2015
Substrate-Competitive Activity-Based Profiling of Ester Prodrug Activating Enzymes
Hao Xu, Jaimeen D Majmudar, Dahvid Davda, et al.
Bioorganic & Medicinal Chemistry
|
February 7, 2021
Chemical validation of a druggable site on Hsp27/HSPB1 using in silico solvent mapping and biophysical methods
Leah N Makley, Oleta T Johnson, Phani Ghanakota, et al.
Journal of Chemical Information and Modeling
|
February 20, 2025
Predicting Resistance to Small Molecule Kinase Inhibitors
Anu Nagarajan, Katherine Amberg-Johnson, Evan Paull, et al.
Page
of 2