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Theoretical and Computational Chemistry

Working Paper

Dynamic docking in protein-ligand modeling

Gordon Chalmers

Version 1 posted 28 June 2022

380

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1

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Theoretical and Computational Chemistry

Working Paper

Identifying and Filling the Chemobiological Gaps of Gut Microbial Metabolites

Cristian Orgaz, Andrés Sánchez-Ruiz, Gonzalo Colmenarejo

Version 1 posted 12 June 2024

103

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Biological and Medicinal Chemistry

Working Paper

A Modified Electrostatic Complementary Score Function and Its Application Boundary Exploration in Drug Design

Liming Zhao, Huting Wang, yingsheng zhang

Version 1 posted 07 June 2022

413

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Theoretical and Computational Chemistry

Working Paper

Computational molecular modeling of Paxlovid binding

Gordon Chalmers

Version 1 posted 29 June 2022

218

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Biological and Medicinal Chemistry

Review

Evolving Drug Design Methodology: from QSAR to AIDD

Jun Xu

Version 1 posted 09 August 2022

983

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4

Citations

Theoretical and Computational Chemistry

Working Paper

Exploration of the chemical space of DNA-encoded libraries

Yuliana Zabolotna, Regina Pikalyova, Dmitriy Volochnyuk, Dragos Horvath, Gilles Marcou, Alexandre Varnek

Version 1 posted 26 July 2021

893

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Theoretical and Computational Chemistry

Working Paper

Unraveling solvent and substituent effects in the photodynamics of light-dependent microtubule inhibitors for cancer phototherapy

Amirhossein Bakhtiiari, Ruibin Liang

Version 1 posted 29 October 2024

50

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7 results in drug design in Keywords: drug design

Dynamic docking in protein-ligand modeling

Identifying and Filling the Chemobiological Gaps of Gut Microbial Metabolites

A Modified Electrostatic Complementary Score Function and Its Application Boundary Exploration in Drug Design

Computational molecular modeling of Paxlovid binding

Evolving Drug Design Methodology: from QSAR to AIDD

Exploration of the chemical space of DNA-encoded libraries

Unraveling solvent and substituent effects in the photodynamics of light-dependent microtubule inhibitors for cancer phototherapy

7 results in Keywords: drug design