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Theoretical and Computational Chemistry

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Nazanin Donyapour

3 results in Authors: Nazanin Donyapour

Theoretical and Computational Chemistry

REVO: Resampling of Ensembles by Variation Optimization

Nazanin Donyapour, Nicole Roussey, Alex Dickson

Version 3 posted 18 April 2019

646

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Theoretical and Computational Chemistry

ClassicalGSG: Prediction of logP Using Classical Molecular Force Fields and Geometric Scattering for Graphs

Nazanin Donyapour, Matthew Hirn, Alex Dickson

Version 1 posted 19 November 2020

592

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Theoretical and Computational Chemistry

Flexible Topology: A new method for dynamic drug design

Nazanin Donyapour, Fatemeh Fathi Niazi, Nicole Roussey, Samik Bose, Alex Dickson

Version 2 posted 17 April 2023

894

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