Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents-Reference-Cited by-同舟云学术

Mechanistic Modeling of Lys745 Sulfonylation in EGFR C797S Reveals Chemical Determinants for Inhibitor Activity and Discriminates Reversible from Irreversible Agents

Published:2023-02-10 Issue:4 Volume:63 Page:1301-1312
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Arafet Kemel¹²,Scalvini Laura¹^ORCID,Galvani Francesca¹^ORCID,Martí Sergio²^ORCID,Moliner Vicent²^ORCID,Mor Marco¹³^ORCID,Lodola Alessio¹^ORCID

Affiliation:

1. Dipartimento di Scienze degli Alimenti e del Farmaco, Università degli Studi di Parma, Parco Area delle Scienze 27/A, I- 43124 Parma, Italy

2. BioComp Group, Institute of Advanced Materials (INAM), Universitat Jaume I, 12071 Castelló, Spain

3. Microbiome Research Hub, University of Parma, Parco Area delle Scienze 11/A, I-43124 Parma, Italy

Funder

Generalitat Valenciana

Ministerio de Ciencia e Innovaci?n

Regione Emilia-Romagna

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01586

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