Abhishek A Kognole

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 4

Top Topics

Density Functional Theory

Venous Thromboembolism

Molecular Dynamics

Top Venues

The Journal of biological chemistry

The journal of physical chemistry. B

Journal of computational chemistry

Journal of chemical theory and computation

University of Maryland Baltimore

University of Kentucky (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Maryland Baltimore Oct 30o 2017

United States

Postdoctoral Research Fellow :: Pharmaceutical Sciences

Education History

University of Kentucky Aug 22o 2012 - Sep 25o 2017

United States

PHD :: Chemical and Materials Engineering

Publications

Abhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
Extension of the CHARMM Classical Drude Polarizable Force Field to N- and O-Linked Glycopeptides and Glycoproteins. The journal of physical chemistry. B 126 (35) (2022)
Abhishek A Kognole, Anthony Hazel, Alexander D MacKerell
SILCS-RNA: Toward a Structure-Based Drug Design Approach for Targeting RNAs with Small Molecules. Journal of chemical theory and computation 18 (9) (2022)
Abhishek A Kognole, Jumin Lee, Sang-Jun Park, Sunhwan Jo, Payal Chatterjee, Justin A Lemkul, Jing Huang, Alexander D MacKerell, Wonpil Im
CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. Journal of computational chemistry (2021)
Abhishek A Kognole, Christina M Payne
Inhibition of Mammalian Glycoprotein YKL-40: IDENTIFICATION OF THE PHYSIOLOGICAL LIGAND. The Journal of biological chemistry 292 (7) (2017)