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3 articles related to "Ligandscout"

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Articles

Original Research

Published on 19 Jun 2018

Conformational Sampling of Small Molecules With iCon: Performance Assessment in Comparison With OMEGA

in Medicinal and Pharmaceutical Chemistry

Giulio Poli
Thomas Seidel
Thierry Langer

Frontiers in Chemistry

doi 10.3389/fchem.2018.00229

11,104 views
55 citations

Original Research

Published on 02 Jul 2018

In Silico Workflow for the Discovery of Natural Products Activating the G Protein-Coupled Bile Acid Receptor 1

in Medicinal and Pharmaceutical Chemistry

Benjamin Kirchweger
Jadel M. Kratz
Angela Ladurner
Ulrike Grienke
Thierry Langer
Verena M. Dirsch
Judith M. Rollinger

Frontiers in Chemistry

doi 10.3389/fchem.2018.00242

5,720 views
20 citations

Original Research

Published on 17 Dec 2018

An Improved Receptor-Based Pharmacophore Generation Algorithm Guided by Atomic Chemical Characteristics and Hybridization Types

in Experimental Pharmacology and Drug Discovery

Gaoqi He
Bojie Gong
Jianqiang Li
Yiping Song
Shiliang Li
Xingjian Lu

Frontiers in Pharmacology

doi 10.3389/fphar.2018.01463

11,103 views
11 citations