MCC950 closes the active conformation of NLRP3 to an inactive state A Tapia-Abellán, D Angosto-Bazarra, H Martínez-Banaclocha, ... Nature Chemical Biology, 1, 2019 | 334 | 2019 |
Managing, analysing, and integrating big data in medical bioinformatics: open problems and future perspectives I Merelli, H Pérez-Sánchez, S Gesing, D D’Agostino BioMed research international 2014, 2014 | 222 | 2014 |
Neural network and deep-learning algorithms used in QSAR studies: merits and drawbacks F Ghasemi, A Mehridehnavi, A Pérez-Garrido, H Pérez-Sánchez Drug Discovery Today, 2018 | 210 | 2018 |
High-throughput parallel blind virtual screening using BINDSURF I Sánchez-Linares, H Pérez-Sánchez, JM Cecilia, JM García BMC bioinformatics 13 (Suppl 14), S13, 2012 | 202 | 2012 |
A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin. X Zhang, H Perez-Sanchez, FC Lightstone Current topics in medicinal chemistry, 2016 | 147 | 2016 |
Automatic selection of molecular descriptors using random forest: Application to drug discovery G Cano, J Garcia-Rodriguez, A Garcia-Garcia, H Perez-Sanchez, ... Expert Systems with Applications 72, 151-159, 2017 | 139 | 2017 |
Structure-based discovery of clinically approved drugs as Zika virus NS2B-NS3 protease inhibitors that potently inhibit Zika virus infection in vitro and in vivo S Yuan, JFW Chan, H den-Haan, KKH Chik, AJ Zhang, CCS Chan, ... Antiviral Research, 2017 | 130 | 2017 |
Deep Neural Network in Biological Activity Prediction using Deep Belief Network F Ghasemi, AR Mehridehnavi, A Fassihi, H Pérez-Sánchez Applied Soft Computing, 2017 | 113* | 2017 |
Cuminaldehyde as the Major Component of Cuminum cyminum, a Natural Aldehyde with Inhibitory Effect on Alpha‐Synuclein Fibrillation and Cytotoxicity D Morshedi, F Aliakbari, A Tayaranian‐Marvian, A Fassihi, F Pan‐Montojo, ... Journal of food science 80 (10), H2336-H2345, 2015 | 101 | 2015 |
Effect of inclusion of hydroxycinnamic and chlorogenic acids from green coffee bean in β-cyclodextrin on their interactions with whey, egg white and soy protein isolates G Budryn, B Pałecz, D Rachwał-Rosiak, J Oracz, D Zaczyńska, S Belica, ... Food chemistry 168, 276-287, 2015 | 94 | 2015 |
Evaluation of the Anti-Diabetic Activity of Some Common Herbs and Spices: Providing New Insights with Inverse Virtual Screening ASP Pereira, AJ Banegas-Luna, J Peña-García, H Pérez-Sánchez, ... Molecules 24 (22), 4030, 2019 | 90 | 2019 |
Application advances of deep learning methods for de novo drug design and molecular dynamics simulation Q Bai, S Liu, Y Tian, T Xu, AJ Banegas‐Luna, H Pérez‐Sánchez, J Huang, ... Wiley Interdisciplinary Reviews: Computational Molecular Science, e1581, 2021 | 89 | 2021 |
A review of ligand-based virtual screening web tools and screening algorithms in large molecular databases in the age of big data AJ Banegas-Luna, JP Cerón-Carrasco, H Pérez-Sánchez Future medicinal chemistry 10 (22), 2641-2658, 2018 | 87 | 2018 |
Selective in vitro and in silico butyrylcholinesterase inhibitory activity of diterpenes and rosmarinic acid isolated from Perovskia atriplicifolia Benth. and Salvia glutinosa L. FS Senol, S Ślusarczyk, A Matkowski, A Pérez-Garrido, ... Phytochemistry 133, 33-44, 2017 | 68 | 2017 |
New arylated benzo [h] quinolines induce anti-cancer activity by oxidative stress-mediated DNA damage DK Yadav, R Rai, N Kumar, S Singh, S Misra, P Sharma, P Shaw, ... Scientific Reports 6, 2016 | 65 | 2016 |
Hepatoprotective activity of chrysin is mediated through TNF-α in chemically-induced acute liver damage: An in vivo study and molecular modeling A Hermenean, T Mariasiu, I Navarro‑González, J Vegara‑Meseguer, ... Experimental and Therapeutic Medicine, 10.3892/etm.2017.4181, 2017 | 64 | 2017 |
The inhibitory effects of bioactive compounds of tomato juice binding to hepatic HMGCR: in vivo study and molecular modelling I Navarro-González, H Pérez-Sánchez, G Martín-Pozuelo, ... PloS one 9 (1), e83968, 2014 | 59 | 2014 |
Use of cyclodextrins to recover catechin and epicatechin from red grape pomace S López-Miranda, A Serrano-Martínez, P Hernández-Sánchez, ... Food Chemistry 203, 379-385, 2016 | 58 | 2016 |
Hantzsch-Type Dihydropyridines and Biginelli-Type Tetrahydropyrimidines: a Review on the Chemotherapeutic Activities AF S. Sepehri, H. Pérez-Sánchez Journal of Pharmacy and Pharmaceutical Sciences 18 (1), 1-52, 2015 | 57 | 2015 |
New role of the antidepressant imipramine as a Fascin1 inhibitor in colorectal cancer cells B Alburquerque-González, M Bernabé-García, S Montoro-García, ... Experimental & Molecular Medicine, 1-12, 2020 | 52 | 2020 |