Abhishek Kognole
Affiliations: | 2017- | Pharmaceutical Sciences | University of Maryland Baltimore, School of Pharmacy |
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Parents
Sign in to add mentor| Christina M. Payne | grad student | 2012-2017 | University of Kentucky |
| Alex MacKerell | post-doc | 2017- | University of Maryland Baltimore, School of Pharmacy |
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Publications
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| Kognole AA, Aytenfisu AH, MacKerell AD. (2022) Extension of the CHARMM Classical Drude Polarizable Force Field to N- and O-Linked Glycopeptides and Glycoproteins. The Journal of Physical Chemistry. B. 126: 6642-6653 |
| Kognole AA, Lee J, Park SJ, et al. (2021) CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. Journal of Computational Chemistry |
| Kognole AA, Aytenfisu AH, MacKerell AD. (2020) Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxides. Journal of Molecular Modeling. 26: 152 |
| Turchi M, Kognole AA, Kumar A, et al. (2020) Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acids Micellar System. The Journal of Physical Chemistry. B |
| Kognole AA, MacKerell AD. (2019) The Role of Mg+2 Ion Interactions in Folding of the Twister Ribozyme and PreQ1 Riboswitch Revealed through Umbrella Sampling Combined with Oscillating Chemical Potential Grand Canonical Monte Carlo/Molecular Dynamics Simulations Biophysical Journal. 116: 352a |
| Kognole AA, Payne CM. (2018) Cellulose-specific Type B carbohydrate binding modules: understanding oligomeric and non-crystalline substrate recognition mechanisms. Biotechnology For Biofuels. 11: 319 |
| Liu B, Kognole AA, Wu M, et al. (2018) Structural and molecular dynamics studies of a C1-oxidizing lytic polysaccharide monooxygenase from Heterobasidion irregulare reveal amino acids important for substrate recognition. The Febs Journal |
| Kognole AA, Payne CM. (2017) Inhibition of mammalian glycoprotein YKL-40: identification of the physiological ligand. The Journal of Biological Chemistry |
| Borisova AS, Isaksen T, Dimarogona M, et al. (2015) Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity. The Journal of Biological Chemistry. 290: 22955-69 |
| Kognole AA, Payne CM. (2015) Cello-oligomer-binding dynamics and directionality in family 4 carbohydrate-binding modules. Glycobiology. 25: 1100-11 |