On the applicability of functional-group symmetry-adapted perturbation theory and other partitioning models for chiral recognition – the case of popular drug molecules interacting with chiral phases-Reference-Cited by-同舟云学术

On the applicability of functional-group symmetry-adapted perturbation theory and other partitioning models for chiral recognition – the case of popular drug molecules interacting with chiral phases

Published:2019 Issue:40 Volume:21 Page:22491-22510
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Chojecki Michał¹²³⁴^ORCID,Rutkowska-Zbik Dorota⁵⁶⁷⁴^ORCID,Korona Tatiana¹²³⁴^ORCID

Affiliation:

1. Faculty of Chemistry

2. University of Warsaw

3. 02-093 Warsaw

4. Poland

5. Jerzy Haber Institute of Catalysis and Surface Chemistry

6. Polish Academy of Sciences

7. 30-239 Cracow

Abstract

The F-SAPT partitioning of the intermolecular interaction energy, supported with the Interacting-Quantum-Atoms analysis, is a powerful tool for studies of the origin of chiral discrimination within diastereoisomeric complexes of the RR and RS types.

Funder

Narodowe Centrum Nauki

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP04056K

Reference83 articles.

1. Chirality , ed. R. Janoschek , Springer Berlin Heidelberg , Berlin, Heidelberg , 1991

2. Recent developments in optical resolution

3. Chiralitätserkennung zwischen neutralen Molekülen in der Gasphase