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Insights into epigenetic modulation from computational studies

Insights into epigenetic modulation from computational studies.

Kumar, K. University of Oxford 2018

/wp-content/uploads/2021/02/clear.png 0 0 Robert Paton /wp-content/uploads/2021/02/clear.png Robert Paton2018-10-05 15:06:212023-10-05 15:06:54Insights into epigenetic modulation from computational studies

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allostery arynes Asymmetric Catalysis biosynthesis C-H functionalization catalysis catalytic mechanism conformational analysis conformational dynamics data-mining descriptors Design DFT-D3 Dispersion Correction dynamics enantioselecitivty enantioselectivity enzyme catalysis enzymes epigenetics featurization Gaussian GNN graph network H-bonding heterocycles Informatics ion-pairing Kinetic Isotope Effect kinetics machine learning mechanism molecular features natural products nmr non-covalent interactions Noncovalent Interactions oniom ions parameters photocatalysis photochemistry prediction python Quasiharmonic regioselectivity site-selecitivity site-selectivity software stereoselectivity Structure-Selectivity Relationships structure prediction thermochemistry Vibrational Entropy

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