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Mariona Torrens-Fontanals
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GPCRmd uncovers the dynamics of the 3D-GPCRome
I Rodríguez-Espigares, M Torrens-Fontanals, JKS Tiemann, ...
Nature Methods 17 (8), 777-787, 2020
1092020
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
402020
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
202022
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
152018
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
92021
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
92018
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
82021
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
72021
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
52018
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
22022
Simulating Time-Resolved Dynamics of Biomolecular Systems
D Aranda-Garcia, M Torrens-Fontanals, B Medel-Lacruz, ...
Elsevier, 2022
22022
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
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