Publications by authors named "Devleena Shivakumar"

Claim this Profile
A
Accurate Physics-Based Prediction of Binding Affinities of RNA- and DNA-Targeting Ligands.
Ara M Abramyan, Anna Bochicchio, Chuanjie Wu, Wolfgang Damm, David R Langley, Devleena Shivakumar

J Chem Inf Model· February 2025

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
L
Long Dissociation of Bictegravir from HIV-1 Integrase-DNA Complexes.
Kirsten L White, Nathan Osman, Ernesto Cuadra-Foy, Bluma G Brenner, Devleena Shivakumar

Antimicrob Agents Chemother· May 2023

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
E
Evaluation of Free Energy Calculations for the Prioritization of Macrocycle Synthesis.
Janet L Paulsen, Haoyu S Yu, Dan Sindhikara, Lingle Wang, Todd Appleby, Devleena Shivakumar

J Chem Inf Model· July 2020

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
T
Targeting prostate cancer with compounds possessing dual activity as androgen receptor antagonists and HDAC6 inhibitors.
Pradeep S Jadhavar, Sreekanth A Ramachandran, Eduardo Riquelme, Ashu Gupta, Kevin P Quinn, Devleena Shivakumar

Bioorg Med Chem Lett· November 2016

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
I
Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field.
Devleena Shivakumar, Edward Harder, Wolfgang Damm, Richard A Friesner, Woody Sherman

J Chem Theory Comput· August 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Computer-aided drug design of falcipain inhibitors: virtual screening, structure-activity relationships, hydration site thermodynamics, and reactivity analysis.
Falgun Shah, Jiri Gut, Jennifer Legac, Devleena Shivakumar, Woody Sherman

J Chem Inf Model· March 2012

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
P
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field.
Devleena Shivakumar, Joshua Williams, Yujie Wu, Wolfgang Damm, John Shelley

J Chem Theory Comput· May 2010

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
C
Computations of Absolute Solvation Free Energies of Small Molecules Using Explicit and Implicit Solvent Model.
Devleena Shivakumar, Yuqing Deng, Benoît Roux

J Chem Theory Comput· April 2009

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis
R
Rescoring docking hit lists for model cavity sites: predictions and experimental testing.
Alan P Graves, Devleena M Shivakumar, Sarah E Boyce, Matthew P Jacobson, David A Case

J Mol Biol· March 2008

Social Media Activity not collected for this article yet.

Sign Up to Request Social Media Analysis