ONIOM and FMO-EDA study of metabotropic glutamate receptor 1: Quantum insights into the allosteric binding site-Reference-Cited by-同舟云学术

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ONIOM and FMO-EDA study of metabotropic glutamate receptor 1: Quantum insights into the allosteric binding site

Published:2018-03-01 Issue:15 Volume:118 Page:e25617
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Śliwa Paweł¹^ORCID,Kurczab Rafał²,Bojarski Andrzej J.²

Affiliation:

1. Faculty of Chemical Engineering and Technology; Cracow University of Technology, 24 Warszawska Street; Kraków 31-155 Poland

2. Institute of Pharmacology, Polish Academy of Sciences, Department of Medicinal Chemistry, 12 Smȩtna Street; Kraków 31-343 Poland

Funder

PL-Grid Infrastructure

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Link

http://onlinelibrary.wiley.com/wol1/doi/10.1002/qua.25617/fullpdf

Reference96 articles.

1. The ONIOM Method and Its Applications

2. Proton Transfer in Bacteriorhodopsin: Structure, Excitation, IR Spectra, and Potential Energy Surface Analyses by an ab Initio QM/MM Method

3. Nature of the Surface Crossing Process in Bacteriorhodopsin: Computer Simulations of the Quantum Dynamics of the Primary Photochemical Event

4. The Retinal Conformation and its Environment in Rhodopsin in Light of a New 2.2Å Crystal Structure

5. QM/MM Study of Energy Storage and Molecular Rearrangements Due to the Primary Event in Vision

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1. The Pivotal Distinction between Antagonists’ and Agonists’ Binding into Dopamine D4 Receptor—MD and FMO/PIEDA Studies;International Journal of Molecular Sciences;2024-01-06

2. New N-aryl-N′-aryl-/(thio)ureido-/sulfamoylamino-derivatives of alkyl/alkylcarbamoyl piperazines: Effect of structural modifications on selectivity over 5-HT1A receptor;European Journal of Medicinal Chemistry;2022-05

3. Exploring the Binding Mechanism of GABAB Receptor Agonists and Antagonists through in Silico Simulations;Journal of Chemical Information and Modeling;2019-12-27

4. Application of Fragment Molecular Orbital Method to investigate dopamine receptors;Science, Technology and Innovation;2019-10-31

5. Recognition of repulsive and attractive regions of selected serotonin receptor binding site using FMO-EDA approach;Journal of Molecular Modeling;2019-04-06

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