Francisco Adasme‐Carreño

Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase case

Francisco Adasme‐Carreño, Camila Muñoz‐Gutierrez, Julio Caballero et al. · Physical Chemistry Chemical Physics · 2014 · 76 citations · Full text

Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations

Majda Misini Ignjatović, Octav Caldararu, Geng Dong et al. · Journal of Computer-Aided Molecular Design · 2016 · 49 citations · Full text

Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations

Camila Muñoz‐Gutierrez, Francisco Adasme‐Carreño, Jans Alzate‐Morales et al. · Journal of Molecular Graphics and Modelling · 2011 · 46 citations · Full text

Medicine, Pharmacology, Rational Drug Design +10

Novel Coumarin‐Quinoline Hybrids: Design of Multitarget Compounds for Alzheimer's Disease

Yorley Duarte, André Fonseca, Margarita Gutiérrez et al. · ChemistrySelect · 2019 · 30 citations

Combinatorial Chemistry, Abstract Alzheimer, Diversity Oriented Synthesis +14

Tetrahydroquinoline-Isoxazole/Isoxazoline Hybrid Compounds as Potential Cholinesterases Inhibitors: Synthesis, Enzyme Inhibition Assays, and Molecular Modeling Studies

Yeray A. Rodríguez‐Núñez, Margarita Gutiérrez, Jans Alzate‐Morales et al. · International Journal of Molecular Sciences · 2019 · 30 citations · Full text