| Year |
Citation |
Score |
| 2022 |
Kognole AA, Aytenfisu AH, MacKerell AD. 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. PMID 36005290 DOI: 10.1021/acs.jpcb.2c04245 |
0.358 |
|
| 2021 |
Kognole AA, Lee J, Park SJ, Jo S, Chatterjee P, Lemkul JA, Huang J, MacKerell AD, Im W. CHARMM-GUI Drude prepper for molecular dynamics simulation using the classical Drude polarizable force field. Journal of Computational Chemistry. PMID 34874077 DOI: 10.1002/jcc.26795 |
0.534 |
|
| 2020 |
Kognole AA, Aytenfisu AH, MacKerell AD. Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxides. Journal of Molecular Modeling. 26: 152. PMID 32447472 DOI: 10.1007/s00894-020-04399-0 |
0.541 |
|
| 2020 |
Turchi M, Kognole AA, Kumar A, Cai Q, Lian G, MacKerell AD. Predicting Partition Coefficients of Neutral and Charged Solutes in the Mixed SLES-Fatty Acids Micellar System. The Journal of Physical Chemistry. B. PMID 31955574 DOI: 10.1021/acs.jpcb.9b11199 |
0.607 |
|
| 2019 |
Kognole AA, MacKerell AD. 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. DOI: 10.1016/J.BPJ.2018.11.1915 |
0.326 |
|
| 2018 |
Kognole AA, Payne CM. Cellulose-specific Type B carbohydrate binding modules: understanding oligomeric and non-crystalline substrate recognition mechanisms. Biotechnology For Biofuels. 11: 319. PMID 30519283 DOI: 10.1186/S13068-018-1321-7 |
0.53 |
|
| 2018 |
Liu B, Kognole AA, Wu M, Westereng B, Crowley MF, Kim S, Dimarogona M, Payne CM, Sandgren M. 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. PMID 29660793 DOI: 10.1111/Febs.14472 |
0.625 |
|
| 2017 |
Kognole AA, Payne CM. Inhibition of mammalian glycoprotein YKL-40: identification of the physiological ligand. The Journal of Biological Chemistry. PMID 28053085 DOI: 10.1074/Jbc.M116.764985 |
0.556 |
|
| 2015 |
Borisova AS, Isaksen T, Dimarogona M, Kognole AA, Mathiesen G, Várnai A, Røhr ÅK, Payne CM, Sørlie M, Sandgren M, Eijsink VG. Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity. The Journal of Biological Chemistry. 290: 22955-69. PMID 26178376 DOI: 10.1074/Jbc.M115.660183 |
0.554 |
|
| 2015 |
Kognole AA, Payne CM. Cello-oligomer-binding dynamics and directionality in family 4 carbohydrate-binding modules. Glycobiology. 25: 1100-11. PMID 26153106 DOI: 10.1093/Glycob/Cwv048 |
0.589 |
|
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