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Journal of Chemical Information and Modeling|March 28, 2009
Insights into the structural basis of N2 and O6 substituted guanine derivatives as cyclin-dependent kinase 2 (CDK2) inhibitors: prediction of the binding modes and potency of the inhibitors by docking and ONIOM calculationsJans H Alzate-Morales, Julio Caballero, Ariela Vergara Jague, et al.
Bioorganic & Medicinal Chemistry|September 28, 2005
Modeling of farnesyltransferase inhibition by some thiol and non-thiol peptidomimetic inhibitors using genetic neural networks and RDF approachesMaykel Pérez González, Julio Caballero, Alain Tundidor-Camba, et al.
The International Journal of Biochemistry & Cell Biology|April 27, 2019
Chalcone derivatives as non-canonical ligands of TRPV1Bruna Benso, Daniel Bustos, Miguel O Zarraga, et al.
Plos One|April 15, 2016
Structural and Affinity Determinants in the Interaction between Alcohol Acyltransferase from F. x ananassa and Several Alcohol Substrates: A Computational StudyCarlos Navarro-Retamal, Carlos Gaete-Eastman, Raúl Herrera, et al.
Bulletin of Mathematical Biology|June 28, 2006
2D autocorrelation modelling of the inhibitory activity of cytokinin-derived cyclin-dependent kinase inhibitorsMaykel Pérez González, Julio Caballero, Aliuska Morales Helguera, et al.
Toxins|December 23, 2017
Computational Studies of Snake Venom ToxinsPaola G Ojeda, David Ramírez, Jans Alzate-Morales, et al.
Bioorganic & Medicinal Chemistry|July 20, 2015
Development of indazolylpyrimidine derivatives as high-affine EphB4 receptor ligands and potential PET radiotracersKristin Ebert, Jens Wiemer, Julio Caballero, et al.
Journal of Chemical Information and Modeling|June 23, 2025
CorrEA: A Web Server for Optimizing Correlations between Calculated Energies and Activities in Ligand-Receptor Systems Considering Multiple Binding Site ConformationsSergio Alfaro, Fabián González-Norambuena, José Luis Velázquez-Libera, et al.
Bioinformatics (Oxford, England)|January 12, 2020
LigRMSD: a web server for automatic structure matching and RMSD calculations among identical and similar compounds in protein-ligand dockingJosé Luis Velázquez-Libera, Fabio Durán-Verdugo, Alejandro Valdés-Jiménez, et al.
Macromolecular Bioscience|February 25, 2005
Improved anti-inflammatory and pharmacokinetic properties for superoxide dismutase by chemical glycosidation with carboxymethylchitinAimara Valdivia, Yunel Perez, Amalia Dominguez, et al.
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