Uncovering activity cliff generators using distribution of SALI values

by José L. Medina-Franco, Karina Martinez-Mayorga
Published 2018-01-01

Bias-inducing allosteric binding site in mu-opioid receptor signaling

by Andrés F. Marmolejo-Valencia, Abraham Madariaga-Mazón, Karina Martinez-Mayorga
Published 2021-04-01

Chemoinformatic analysis of GRAS (Generally Recognized as Safe) flavor chemicals and natural products.

by José L Medina-Franco, Karina Martínez-Mayorga, Terry L Peppard, Alberto Del Rio
Published 2012-01-01

Predictive Global Models of Cruzain Inhibitors with Large Chemical Coverage

by Jose Guadalupe Rosas-Jimenez, Marco A. Garcia-Revilla, Abraham Madariaga-Mazon, Karina Martinez-Mayorga
Published 2021-03-01

Structure-based identification of a potential non-catalytic binding site for rational drug design in the fructose 1,6-biphosphate aldolase from Giardia lamblia

by Sara-Teresa Méndez, Adriana Castillo-Villanueva, Karina Martínez-Mayorga, Horacio Reyes-Vivas, Jesús Oria-Hernández
Published 2019-08-01

Rationality over fashion and hype in drug design [version 1; peer review: 2 approved]

by José L. Medina-Franco, Karina Martinez-Mayorga, Eli Fernández-de Gortari, Johannes Kirchmair, Jürgen Bajorath
Published 2021-05-01

Identification of a small molecule that selectively inhibits mouse PC2 over mouse PC1/3: a computational and experimental study.

by Austin B Yongye, Mirella Vivoli, Iris Lindberg, Jon R Appel, Richard A Houghten, Karina Martinez-Mayorga
Published 2013-01-01

QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations

by José R. Valdés-Martiní, Yovani Marrero-Ponce, César R. García-Jacas, Karina Martinez-Mayorga, Stephen J. Barigye, Yasser Silveira Vaz d‘Almeida, Hai Pham-The, Facundo Pérez-Giménez, Carlos A. Morell
Published 2017-06-01