GPCRmd uncovers the dynamics of the 3D-GPCRome I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ... Nature Methods 17 (8), 777-787, 2020 | 109 | 2020 |
How Do Molecular Dynamics Data Complement Static Structural Data of GPCRs M Torrens-Fontanals, TM Stepniewski, D Aranda-García, ... International Journal of Molecular Sciences 21 (16), 5933, 2020 | 40 | 2020 |
SCoV2-MD: a database for the dynamics of the SARS-CoV-2 proteome and variant impact predictions M Torrens-Fontanals, A Peralta-García, C Talarico, R Guixà-González, ... Nucleic acids research 50 (D1), D858-D866, 2022 | 20 | 2022 |
Membrane cholesterol effect on the 5‐HT2A receptor: Insights into the lipid‐induced modulation of an antipsychotic drug target JM Ramírez‐Anguita, I Rodríguez‐Espigares, R Guixà‐González, ... Biotechnology and applied biochemistry 65 (1), 29-37, 2018 | 15 | 2018 |
Entrectinib—A SARS-CoV-2 Inhibitor in Human Lung Tissue (HLT) Cells A Peralta-Garcia, M Torrens-Fontanals, TM Stepniewski, J Grau-Expósito, ... International Journal of Molecular Sciences 22 (24), 13592, 2021 | 9 | 2021 |
Synthesis, molecular modelling studies and biological evaluation of new oxoeicosanoid receptor 1 agonists TM Stepniewski, M Torrens-Fontanals, I Rodríguez-Espigares, T Giorgino, ... Bioorganic & medicinal chemistry 26 (12), 3580-3587, 2018 | 9 | 2018 |
Structural dynamics bridge the gap between the genetic and functional levels of GPCRs M Torrens-Fontanals, TM Stepniewski, DE Gloriam, J Selent Current Opinion in Structural Biology 69, 150-159, 2021 | 8 | 2021 |
Mechanistic insights into dopaminergic and serotonergic neurotransmission–concerted interactions with helices 5 and 6 drive the functional outcome TM Stepniewski, A Mancini, R Ågren, M Torrens-Fontanals, M Semache, ... Chemical Science 12 (33), 10990-11003, 2021 | 7 | 2021 |
Application of Biomolecular Simulations to G Protein–Coupled Receptors (GPCRs) M Torrens-Fontanals, TM Stepniewski, I Rodríguez-Espigares, J Selent Biomolecular Simulations in Structure‐Based Drug Discovery, 205-223, 2018 | 5 | 2018 |
In Silico Study of Allosteric Communication Networks in GPCR Signaling Bias A Morales-Pastor, F Nerín-Fonz, D Aranda-García, M Dieguez-Eceolaza, ... International Journal of Molecular Sciences 23 (14), 7809, 2022 | 2 | 2022 |
Simulating Time-Resolved Dynamics of Biomolecular Systems D Aranda-Garcia, M Torrens-Fontanals, B Medel-Lacruz, ... Elsevier, 2022 | 2 | 2022 |
PlayMolecule Viewer: a toolkit for the visualization of molecules and other data M Torrens-Fontanals, P Tourlas, S Doerr, G De Fabritiis Journal of Chemical Information and Modeling, 2024 | | 2024 |
Making protein dynamics FAIR: Research platforms for the collection, dissemination, and analysis of molecular dynamics simulations M Torrens Fontanals | | 2022 |
Entrectinib-a SARS-CoV-2 inhibitor in Human Lung Tissue (HLT) cells (preprint) A Peralta-Garcia, M Torrens-Fontanals, TM Stepniewski, V Ayinampudi, ... | | 2021 |
How do Molecular Dynamics Data Complement Static Structural Data of GPCRs TM Stepniewski, B Medel-Lacruz, J Selent, M Torrens-Fontanals, ... International Journal of Molecular Sciences, 2020 | | 2020 |