| 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 | 67 | 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 | 52 | 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 | 50 | 2016 |
| 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 | 26 | 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 | 26 | 2016 |
| Neonicotinic analogues: Selective antagonists for α4β2 nicotinic acetylcholine receptors M Faundez-Parraguez, N Farias-Rabelo, JP Gonzalez-Gutierrez, ... Bioorganic & medicinal chemistry 21 (10), 2687-2694, 2013 | 26 | 2013 |
| 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 | 22 | 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 | 14 | 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 | 9 | 2017 |
| Modeling cooperative effects in halogen-bonded infinite linear chains F Adasme-Carreno, J Alzate-Morales, J Ireta Physical Chemistry Chemical Physics 19 (28), 18529-18538, 2017 | 8 | 2017 |
| Tetrahydroquinoline-isoxazole/isoxazoline hybrid compounds as potential cholinesterases inhibitors: Synthesis, enzyme inhibition assays, and molecular modeling studies YA Rodríguez Núñez, M Gutíerrez, J Alzate-Morales, F Adasme-Carreño, ... International Journal of Molecular Sciences 21 (1), 5, 2019 | 6 | 2019 |
| Psique: Protein secondary structure identification on the basis of quaternions and electronic structure calculations F Adasme-Carreño, J Caballero, J Ireta Journal of Chemical Information and Modeling 61 (4), 1789-1800, 2021 | 5 | 2021 |
| Main methods and tools for peptide development based on protein-protein interactions (PPIs) J Baeza, P Cruz, P Ojeda, F Adasme-Carreño, M Bedoya, O Cerda, ... | | 2024 |
| Conformational preference of dipeptide zwitterions in aqueous solvent F Adasme-Carreño, A Ochoa-Calle, M Galván, J Ireta Physical Chemistry Chemical Physics, 2024 | | 2024 |
| 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 |
| Theoretical Study of the Intrinsic Conformational Preferences and Microsolvation Effect on the Self-Assembly of Hydrophobic L-Dipeptides FA Carreno, J Caballero, J Ireta Biophysical Journal 120 (3), 293a, 2021 | | 2021 |
| A2EPG: New pattern recognition software for rapid analysis of electropenetrograms to study stylet probing behavior of aphids F Adasme-Carreño, C Muñoz-Gutieìrrez, J Salinas-Cornejo, C Ramirez 2016 International Congress of Entomology, 2016 | | 2016 |
| Estimation of Relative Binding Free Energies of Agonists for the α7 Nicotinic Acetylcholine Receptor: Trying to Improve Clustering Analysis in MM-GBSA C Pareja, F Adasme, P Iturriaga-Vásquez, J Alzate-Morales | | |
