Oscar Méndez-Lucio

发表

Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry.

José L Medina-Franco, Gabriel Navarrete-Vázquez, Oscar Méndez-Lucio, 2015, Future medicinal chemistry.

A Geometric Deep Learning Approach to Predict Binding Conformations of Bioactive Molecules

Mazen Ahmad, Oscar Méndez-Lucio, Jörg Kurt Wegner, 2021 .

AI3SD Video: DeepDock: a deep learning approach to predict ligand binding conformations

Oscar Méndez-Lucio, 2021 .

A chemical space odyssey of inhibitors of histone deacetylases and bromodomains

José L. Medina-Franco, Fernando D. Prieto-Martínez, Oscar Méndez-Lucio, 2016 .

Chemoinformatic expedition of the chemical space of fungal products.

José L Medina-Franco, J Jesús Naveja, Mariana González-Medina, 2016, Future medicinal chemistry.

Activity landscape analysis, CoMFA and CoMSIA studies of pyrazole CB1 antagonists

Oscar Méndez-Lucio, Francisco Hernández-Luis, Eduardo Hernández-Vázquez, 2012, Medicinal Chemistry Research.

Diversity selection, screening and quantitative structure–activity relationships of osmolyte‐like additive effects on the thermal stability of a monoclonal antibody

Andreas Bender, Oscar Méndez-Lucio, A. Bender, 2017, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

The interplay between molecular modeling and chemoinformatics to characterize protein-ligand and protein-protein interactions landscapes for drug discovery.

José L Medina-Franco, Karina Martinez-Mayorga, Oscar Méndez-Lucio, 2014, Advances in protein chemistry and structural biology.

Activity cliffs and activity cliff generators based on chemotype-related activity landscapes

Jaime Pérez-Villanueva, José L Medina-Franco, Oscar Méndez-Lucio, 2015, Molecular Diversity.

CASE Plots for the Chemotype‐Based Activity and Selectivity Analysis: A CASE Study of Cyclooxygenase Inhibitors

Jaime Pérez-Villanueva, José L Medina-Franco, Rafael Castillo, 2012, Chemical biology & drug design.

The many roles of molecular complexity in drug discovery.

José L Medina-Franco, Oscar Méndez-Lucio, J. Medina-Franco, 2017, Drug discovery today.

Activity landscape modeling of PPAR ligands with dual-activity difference maps.

Jaime Pérez-Villanueva, José L Medina-Franco, Rafael Castillo, 2012, Bioorganic & medicinal chemistry.

Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.

Andreas Bender, Gerard J P van Westen, Oscar Méndez-Lucio, 2014, Integrative biology : quantitative biosciences from nano to macro.

Towards understanding polyol additive effects on the pH shift-induced aggregation of a monoclonal antibody using high throughput screening and quantitative structure-activity modeling.

Andreas Bender, Oscar Méndez-Lucio, A. Bender, 2017, International journal of pharmaceutics.