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Glycobiology|July 9, 2015
Cello-oligomer-binding dynamics and directionality in family 4 carbohydrate-binding modulesAbhishek A Kognole, Christina M Payne
Biophysical Journal|February 14, 2020
Mg<sup>2+</sup> Impacts the Twister Ribozyme through Push-Pull Stabilization of Nonsequential Phosphate PairsAbhishek A Kognole, Alexander D MacKerell
The Journal of Biological Chemistry|January 6, 2017
Inhibition of Mammalian Glycoprotein YKL-40: IDENTIFICATION OF THE PHYSIOLOGICAL LIGANDAbhishek A Kognole, Christina M Payne
Journal of Chemical Theory and Computation|August 1, 2022
SILCS-RNA: Toward a Structure-Based Drug Design Approach for Targeting RNAs with Small MoleculesAbhishek A Kognole, Anthony Hazel, Alexander D MacKerell
Journal of Molecular Modeling|May 25, 2020
Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxidesAbhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
The Journal of Physical Chemistry. B|August 25, 2022
Extension of the CHARMM Classical Drude Polarizable Force Field to N- and O-Linked Glycopeptides and GlycoproteinsAbhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerell
The Journal of Physical Chemistry. B|January 21, 2020
Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acid Micellar SystemMattia Turchi, Abhishek A Kognole, Anmol Kumar, et al.
Journal of Computational Chemistry|April 24, 2023
GPU-specific algorithms for improved solute sampling in grand canonical Monte Carlo simulationsMingtian Zhao, Abhishek A Kognole, Sunhwan Jo, et al.
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