E
Edgar López-López
Researcher at National Autonomous University of Mexico
Publications - 25
Citations - 324
Edgar López-López is an academic researcher from National Autonomous University of Mexico. The author has contributed to research in topics: Medicine & Computer science. The author has an hindex of 7, co-authored 13 publications receiving 143 citations. Previous affiliations of Edgar López-López include Instituto Politécnico Nacional.
Papers
More filters
Journal ArticleDOI
DataWarrior: an evaluation of the open-source drug discovery tool
TL;DR: In the era of big data and data-driven science, DataWarrior stands out as a technology that combines prediction of physicochemical properties of pharmaceutical interest, cheminformatics calculations, multivariate data analysis, and interactive visualization with dynamic plots.
Book ChapterDOI
Computational Drug Design Methods—Current and Future Perspectives
Fernando D. Prieto-Martínez,Edgar López-López,K. Eurídice Juárez-Mercado,José L. Medina-Franco +3 more
TL;DR: This chapter discusses the authors’ point of view of the challenges of traditional and novel CADD methods to increase their positive impact in drug discovery and presents emerging concepts and technologies in molecular modeling and chemoinformatics.
Journal ArticleDOI
Informatics for Chemistry, Biology, and Biomedical Sciences.
TL;DR: In this paper, the authors discuss three major informatics disciplines in the natural and life sciences including bioinformatics, chemoinformatics and biomedical informatics and briefly comment on related subdisciplines.
Journal ArticleDOI
Consensus Virtual Screening of Dark Chemical Matter and Food Chemicals Uncover Potential Inhibitors of SARS-CoV-2 Main Protease
Marisa G. Santibáñez-Morán,Edgar López-López,Fernando D. Prieto-Martínez,Norberto Sánchez-Cruz,José L. Medina-Franco +4 more
TL;DR: A consensus virtual screening of extensive collections of food chemicals and compounds known as dark chemical matter is reported to contribute to global efforts with a description of currently underexplored chemical space regions.
Journal ArticleDOI
Activity Landscape and Molecular Modeling to Explore the SAR of Dual Epigenetic Inhibitors: A Focus on G9a and DNMT1
TL;DR: The insights from activity landscape, docking and molecular dynamics towards the understanding of the structure-activity relationships of dual inhibitors of major epigenetic targets: lysine methyltransferase (G9a) and DNA methyltranferase 1 (DNMT1) are discussed.