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Biological and Medicinal Chemistry

(2)

Physical Chemistry

(1)

Theoretical and Computational Chemistry

(3)

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Working Paper

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Over 3 years

(4)

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ONIOM

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4 results in Keywords: ONIOM

Theoretical and Computational Chemistry

ONIOM(QM:QM') Electrostatic Embedding Schemes for Photochemistry in Molecular Crystals

Miguel Rivera, Michael Dommett, Rachel Crespo Otero

Version 1 posted 21 November 2018

666

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Theoretical and Computational Chemistry

Fromage: A Library for the Study of Molecular Crystal Excited States at the Aggregate Scale

Miguel Rivera, Michael Dommett, Amir Sidat, Warda Rahim, Rachel Crespo Otero

Version 1 posted 10 September 2019

657

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Biological and Medicinal Chemistry

An Insight into the Interaction Between α-Ketoamide-Based Inhibitor and Coronavirus Main Protease: A Detailed in Silico Study

Snehasis Banerjee

Version 1 posted 11 August 2020

504

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Biological and Medicinal Chemistry

Folding of the Transmembrane 25-Residues Influenza A M2 and Ala-25 Peptides

Ioannis Stylianakis, Steve Scheiner, Isaiah Arkin, Nikolas Glykos, Antonios Kolocouris

Version 1 posted 08 January 2020

454

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