| Current tools and methods in molecular dynamics (MD) simulations for drug design M Hernández-Rodríguez, M C Rosales-Hernández, J E Mendieta-Wejebe, ... Current medicinal chemistry 23 (34), 3909-3924, 2016 | 87 | 2016 |
| Automated docking for novel drug discovery M Bello, M Martínez-Archundia, J Correa-Basurto Expert opinion on drug discovery 8 (7), 821-834, 2013 | 81 | 2013 |
| Deciphering the GPER/GPR30-agonist and antagonists interactions using molecular modeling studies, molecular dynamics, and docking simulations D Méndez-Luna, M Martínez-Archundia, RC Maroun, G Ceballos-Reyes, ... Journal of Biomolecular Structure and Dynamics 33 (10), 2161-2172, 2015 | 73 | 2015 |
| Automatic discovery of 100-miRNA signature for cancer classification using ensemble feature selection A Lopez-Rincon, M Martinez-Archundia, GU Martinez-Ruiz, A Schoenhuth, ... BMC bioinformatics 20, 1-17, 2019 | 69 | 2019 |
| Machine learning-based ensemble recursive feature selection of circulating mirnas for cancer tumor classification A Lopez-Rincon, L Mendoza-Maldonado, M Martinez-Archundia, ... Cancers 12 (7), 1785, 2020 | 49 | 2020 |
| Identification of the antiepileptic racetam binding site in the synaptic vesicle protein 2A by molecular dynamics and docking simulations J Correa-Basurto, RI Cuevas-Hernández, BV Phillips-Farfán, ... Frontiers in cellular neuroscience 9, 125, 2015 | 41 | 2015 |
| Searching the conformational complexity and binding properties of HDAC6 through docking and molecular dynamic simulations Y Sixto-López, M Bello, RA Rodríguez-Fonseca, MC Rosales-Hernández, ... Journal of Biomolecular Structure and Dynamics 35 (13), 2794-2814, 2017 | 28 | 2017 |
| Repositioning of ligands that target the spike glycoprotein as potential drugs for SARS-CoV-2 in an in silico study GL Ramírez-Salinas, M Martínez-Archundia, J Correa-Basurto, ... Molecules 25 (23), 5615, 2020 | 25 | 2020 |
| Study of new interactions of glitazone’s stereoisomers and the endogenous ligand 15d-PGJ2 on six different PPAR gamma proteins S Álvarez-Almazán, M Bello, F Tamay-Cach, M Martínez-Archundia, ... Biochemical Pharmacology 142, 168-193, 2017 | 22 | 2017 |
| Exploring the Ligand Recognition Properties of the Human Vasopressin V 1a Receptor Using QSAR and Molecular Modeling Studies MC Contreras‐Romo, M Martínez‐Archundia, O Deeb, MJ Ślusarz, ... Chemical Biology & Drug Design 83 (2), 207-223, 2014 | 19 | 2014 |
| Salt effects on the conformational stability of the visual G-protein-coupled receptor rhodopsin A Reyes-Alcaraz, M Martínez-Archundia, E Ramon, P Garriga Biophysical journal 101 (11), 2798-2806, 2011 | 18 | 2011 |
| Molecular modeling of the M3 acetylcholine muscarinic receptor and its binding site M Martinez-Archundia, A Cordomi, P Garriga, JJ Perez BioMed Research International 2012, 2012 | 15 | 2012 |
| Drug repositioning to target NSP15 protein on SARS‐CoV‐2 as possible COVID‐19 treatment Y Sixto‐López, M Martínez‐Archundia Journal of Computational Chemistry 42 (13), 897-907, 2021 | 14 | 2021 |
| Molecular dynamics simulations reveal structural differences among wild-type NPC1 protein and its mutant forms M Martínez-Archundia, TG Hernandez Mojica, J Correa-Basurto, ... Journal of Biomolecular Structure and Dynamics 38 (12), 3527-3532, 2020 | 14 | 2020 |
| Studying the collective motions of the adenosine A2A receptor as a result of ligand binding using principal component analysis M Martínez-Archundia, J Correa-Basurto, S Montaño, JL Rosas-Trigueros Journal of Biomolecular Structure and Dynamics, 2019 | 14 | 2019 |
| Selection of a GPER1 ligand via ligand-based virtual screening coupled to molecular dynamics simulations and its anti-proliferative effects on breast cancer cells A Martínez-Muñoz, B Prestegui-Martel, D Méndez-Luna, ... Anti-Cancer Agents in Medicinal Chemistry (Formerly Current Medicinal …, 2018 | 13 | 2018 |
| Oenothera rosea L´ Hér. ex Ait attenuates acute colonic inflammation in TNBS-induced colitis model in rats: in vivo and in silico myeloperoxidase role N Calva-Candelaria, ME Meléndez-Camargo, H Montellano-Rosales, ... Biomedicine & Pharmacotherapy 108, 852-864, 2018 | 12 | 2018 |
| Liver disorders in COVID-19, nutritional approaches and the use of phytochemicals N Vargas-Mendoza, J García-Machorro, M Angeles-Valencia, ... World Journal of Gastroenterology 27 (34), 5630, 2021 | 8 | 2021 |
| Acetylcholinesterase inhibition (potential anti‐Alzheimer effects) by aminobenzoic acid derivatives: synthesis, in vitro and in silico evaluation JA Altamirano‐Espino, LA Sánchez‐Labastida, M Martínez‐Archundia, ... ChemistrySelect 5 (44), 14177-14182, 2020 | 8 | 2020 |
| Design of drugs by filtering through ADMET, physicochemical and ligand-target flexibility properties M Martínez-Archundia, M Bello, J Correa-Basurto Rational Drug Design: Methods and Protocols, 403-416, 2018 | 7 | 2018 |
