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Page 1
Probing Adaptation of Hydration and Protein Dynamics to Temperature.
ACS Omega. 2022 Jun 13;7(25):22020-22031. doi: 10.1021/acsomega.2c02843. eCollection 2022 Jun 28.
ACS Omega. 2022.
PMID: 35785325
Free PMC article.
Protein Solvent Shell Structure Provides Rapid Analysis of Hydration Dynamics.
Dahanayake JN, Shahryari E, Roberts KM, Heikes ME, Kasireddy C, Mitchell-Koch KR.
Dahanayake JN, et al.
J Chem Inf Model. 2019 May 28;59(5):2407-2422. doi: 10.1021/acs.jcim.9b00009. Epub 2019 Mar 22.
J Chem Inf Model. 2019.
PMID: 30865440
Free PMC article.
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How Does Solvation Layer Mobility Affect Protein Structural Dynamics?
Dahanayake JN, Mitchell-Koch KR.
Dahanayake JN, et al.
Front Mol Biosci. 2018 Jul 13;5:65. doi: 10.3389/fmolb.2018.00065. eCollection 2018.
Front Mol Biosci. 2018.
PMID: 30057902
Free PMC article.
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Entropy connects water structure and dynamics in protein hydration layer.
Dahanayake JN , Mitchell-Koch KR .
Dahanayake JN , et al.
Phys Chem Chem Phys. 2018 May 30;20(21):14765-14777. doi: 10.1039/c8cp01674g.
Phys Chem Chem Phys. 2018.
PMID: 29780979
Free PMC article.
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Demystifying Chronic Kidney Disease of Unknown Etiology (CKDu): Computational Interaction Analysis of Pesticides and Metabolites with Vital Renal Enzymes.
Rajapaksha H, Pandithavidana DR, Dahanayake JN.
Rajapaksha H, et al. Among authors: dahanayake jn.
Biomolecules. 2021 Feb 10;11(2):261. doi: 10.3390/biom11020261.
Biomolecules. 2021.
PMID: 33578980
Free PMC article.
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Evaluating electronic structure methods for accurate calculation of 19 F chemical shifts in fluorinated amino acids.
Dahanayake JN, Kasireddy C, Ellis JM, Hildebrandt D, Hull OA, Karnes JP, Morlan D, Mitchell-Koch KR.
Dahanayake JN, et al.
J Comput Chem. 2017 Nov 15;38(30):2605-2617. doi: 10.1002/jcc.24919. Epub 2017 Aug 21.
J Comput Chem. 2017.
PMID: 28833293
Free PMC article.
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To Keep or Not to Keep? The Question of Crystallographic Waters for Enzyme Simulations in Organic Solvent.
Dahanayake JN, Gautam DN, Verma R, Mitchell-Koch KR.
Dahanayake JN, et al.
Mol Simul. 2016;42(12):1001-1013. doi: 10.1080/08927022.2016.1139108. Epub 2016 Mar 22.
Mol Simul. 2016.
PMID: 27403032
Free PMC article.
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