Quantum similarity of isosteres coordinate versus momentum space and influence of alignment-Reference-Cited by-同舟云学术

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Quantum similarity of isosteres coordinate versus momentum space and influence of alignment

Published:2010-03 Issue:1-3 Volume:943 Page:183-188
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Vivas-Reyes Ricardo,Arias Andersson,Vandenbussche Jelle,Alsenoy Christian Van,Bultinck Patrick

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference32 articles.

1. Molecular Quantum Similarity and the Fundamentals of QSAR

2. Molecular Quantum Similarity: Theory and Applications

3. Molecular descriptors;Downs,2004

4. How similar is a molecule to another? An electron density measure of similarity between two molecular structures

5. Molecular quantum similarity using conceptual DFT descriptors

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1. QSAR Modelling of Biological Activity in Cannabinoids with Quantum Similarity Combinations of Charge Fitting Schemes and 3D‐QSAR;Chemistry & Biodiversity;2023-04-25

2. Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods;F1000Research;2020-04-16

3. Study of interaction energies between residues of the active site of Hsp90 and geldanamycin analogues using quantum mechanics/molecular mechanics methods;F1000Research;2019-12-02

4. New insights into steric and electronic effects in a series of phosphine ligands from the perspective of local quantum similarity using the Fukui function;Journal of Molecular Modeling;2015-02-17

5. Understanding the Polar Character Trend in a Series of Diels-Alder Reactions Using Molecular Quantum Similarity and Chemical Reactivity Descriptors;Journal of Quantum Chemistry;2014-07-07

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