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Theoretical and Computational Chemistry

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Sehr Naseem-Khan

2 results in Authors: Sehr Naseem-Khan

Theoretical and Computational Chemistry

Improvement of the Gaussian Electrostatic Model by Separate Fitting of Coulomb and Exchange-Repulsion Densities and Implementation of a new Dispersion term

Sehr Naseem-Khan, Jean-Philip Piquemal, G. Andrés Cisneros

Version 1 posted 23 September 2021

332

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Theoretical and Computational Chemistry

Impact of Remdesivir Incorporation Along the Primer Strand on SARS-CoV-2 RNA-dependent RNA polymerase

Sehr Naseem-Khan, Madison B. Berger, Emmett M. Leddin, Yazdan Maghsoud, G. Andrés Cisneros

Version 2 posted 29 March 2022

780

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1

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