Multiple Conformer Descriptors for QSAR Modeling-Reference-Cited by-同舟云学术

Multiple Conformer Descriptors for QSAR Modeling

Published:2021-08-03 Issue:11 Volume:40 Page:2060030
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Nikonenko Aleksandra¹,Zankov Dmitry²,Baskin Igor³,Madzhidov Timur²^ORCID,Polishchuk Pavel¹

Affiliation:

1. Institute of Molecular and Translational Medicine, Faculty of Medicine and Dentistry Palacký University and University Hospital in Olomouc Hnevotinska 5 77900 Olomouc Czech Republic

2. A.M. Butlerov Institute of Chemistry Kazan Federal University Kremlevskaya Str. 18 420008 Kazan Russia

3. Department of Materials Science and Engineering Technion-Israel Institute of Technology 3200003 Haifa Israel

Funder

Ministry of Education and Science of the Russian Federation

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.202060030

Reference55 articles.

1. Rusting of the Lock and Key Model for Protein-Ligand Binding

2. Chiral Cliffs: Investigating the Influence of Chirality on Binding Affinity

3. Let’s not forget tautomers

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