Showing results (1-10 of 11) with videos related to
Sort By:
Pageof 2
The Journal of Physical Chemistry. B|March 18, 2026
D-MBIS Nonbonded Force Field Parameters Improve Specificity and Selectivity Prediction in BromodomainsLuis Macaya, Esteban Vöhringer-MartinezJournal of Chemical Information and Modeling|August 31, 2021
Molecular Environment-Specific Atomic Charges Improve Binding Affinity Predictions of SAMPL5 Host-Guest SystemsDuván González, Luis Macaya, Esteban Vöhringer-MartinezJournal of Chemical Information and Modeling|March 28, 2024
Nonbonded Force Field Parameters from MBIS Partitioning of the Molecular Electron Density Improve Binding Affinity Predictions of the T4-Lysozyme Double MutantLuis Macaya, Duván González, Esteban Vöhringer-MartinezJournal of Chemical Information and Modeling|August 12, 2022
Nonbonded Force Field Parameters from Minimal Basis Iterative Stockholder Partitioning of the Molecular Electron Density Improve CB7 Host-Guest Affinity PredictionsDuván González, Luis Macaya, Carlos Castillo-Orellana, et al.Proteins|July 12, 2021
A trivalent TNF-R2 as a new tumor necrosis factor alpha-blocking moleculeMaría A Contreras, Luis Macaya, Viana Manrique, et al.International Journal of Biological Macromolecules|April 1, 2026
Structural characterization of the serine protease activity of Natterin-like 2 from Thalassophryne maculosa venomAleikar Vásquez-Suárez, Leonardo De Sousa, Juan Bolaños-Curvelo, et al.Proteins|July 5, 2021
Design and characterization of a novel dimeric blood-brain barrier penetrating TNFα inhibitorViana Manrique-Suárez, Luis Macaya, Maria Angélica Contreras, et al.The Biochemical Journal|September 17, 2020
New insights on the interaction mechanism of rhTNFα with its antagonists Adalimumab and EtanerceptMaría Angélica Contreras, Luis Macaya, Pedro Neira, et al.Journal of Biotechnology|July 5, 2021
Expression and characterization of a novel single-chain anti-vascular endothelial growth factor antibody in the goat milkMaría J Leiva, Natalie C Parra, María A Contreras, et al.Journal of Computational Chemistry|December 28, 2020
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input filesToon Verstraelen, William Adams, Leila Pujal, et al.Pageof 2