| Performance of the MM/GBSA scoring using a binding site hydrogen bond network-based frame selection: the protein kinase case F Adasme-Carreño, C Muñoz-Gutierrez, J Caballero, JH Alzate-Morales Physical Chemistry Chemical Physics 16 (27), 14047-14058, 2014 | 73 | 2014 |
| Study of differences in the VEGFR2 inhibitory activities between semaxanib and SU5205 using 3D-QSAR, docking, and molecular dynamics simulations C Munoz, F Adasme, JH Alzate-Morales, A Vergara-Jaque, T Kniess, ... Journal of Molecular Graphics and Modelling 32, 39-48, 2012 | 54 | 2012 |
| Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations M Misini Ignjatović, O Caldararu, G Dong, C Munoz-Gutierrez, ... Journal of Computer-Aided Molecular Design 30, 707-730, 2016 | 52 | 2016 |
| Synthesis, in silico, in vitro, and in vivo investigation of 5-[11C] methoxy-substituted sunitinib, a tyrosine kinase inhibitor of VEGFR-2 J Caballero, C Muñoz, JH Alzate-Morales, S Cunha, L Gano, R Bergmann, ... European journal of medicinal chemistry 58, 272-280, 2012 | 32 | 2012 |
| Novel coumarin‐quinoline hybrids: Design of multitarget compounds for Alzheimer's disease Y Duarte, A Fonseca, M Gutiérrez, F Adasme‐Carreño, ... ChemistrySelect 4 (2), 551-558, 2019 | 28 | 2019 |
| Computational study of the binding orientation and affinity of PPARγ agonists: Inclusion of ligand-induced fit by cross-docking C Muñoz-Gutierrez, F Adasme-Carreño, E Fuentes, I Palomo, J Caballero Rsc Advances 6 (69), 64756-64768, 2016 | 27 | 2016 |
| Halogen bonding in drug-like molecules: a computational and systematic study of the substituent effect F Adasme-Carreño, C Muñoz-Gutierrez, JH Alzate-Morales RSC advances 6 (66), 61837-61847, 2016 | 24 | 2016 |
| A2EPG: a new software for the analysis of electrical penetration graphs to study plant probing behaviour of hemipteran insects F Adasme-Carreño, C Muñoz-Gutiérrez, J Salinas-Cornejo, CC Ramírez Computers and Electronics in Agriculture 113, 128-135, 2015 | 15 | 2015 |
| Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors C Munoz-Gutierrez, D Caceres-Rojas, F Adasme-Carreno, I Palomo, ... PloS one 12 (12), e0189213, 2017 | 10 | 2017 |
| Study of the interactions between edaglitazone and ciglitazone with PPARγ and their antiplatelet profile C Muñoz-Gutiérrez, C Sepúlveda, J Caballero, I Palomo, E Fuentes Life Sciences 186, 59-65, 2017 | 9 | 2017 |
| HQSAR and molecular docking studies of furanyl derivatives as adenosine A2A receptor antagonists C Muñoz-Gutiérrez, J Caballero, A Morales-Bayuelo Medicinal Chemistry Research 25, 1316-1328, 2016 | 6 | 2016 |
| Effect of strand register in the stability and reactivity of crystals from peptides forming amyloid fibrils C Muñoz-Gutiérrez, F Adasme-Carreño, J Alzate-Morales, J Ireta Physical Chemistry Chemical Physics 25 (35), 23885-23893, 2023 | | 2023 |
