المؤلفون: Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, Charles A Laughton, F Javier Luque

المصدر: PLoS ONE, Vol 12, Iss 5, p e0177683 (2017)

مصطلحات موضوعية: Medicine, Science

وصف الملف: electronic resource

Relation: http://europepmc.org/articles/PMC5432175?pdf=render; https://doaj.org/toc/1932-6203

URL الوصول: https://doaj.org/article/3f8d74d387864441a95e408321ef384e

المؤلفون: Ornella Di Pietro, Jordi Juárez-Jiménez, Diego Muñoz-Torrero, Charles A Laughton, F Javier Luque

المصدر: PLoS ONE, Vol 12, Iss 12, p e0190327 (2017)

مصطلحات موضوعية: Medicine, Science

وصف الملف: electronic resource

Relation: http://europepmc.org/articles/PMC5739478?pdf=render; https://doaj.org/toc/1932-6203

URL الوصول: https://doaj.org/article/62493cb047df448e85672cb22199f417

المؤلفون: Caterina Pont, Nelson Alencar, Irene Sola, María Linares, Luca Di Palma, Carla Barbaraci, Cristina Sampedro, Jordi Juárez-Jiménez, Paloma Abad, Susana Pérez-Benavente, Jerónimo Lameira, José M. Bautista, F. Javier Luque, Diego Muñoz-Torrero

المصدر: Proceedings, Vol 1, Iss 6, p 665 (2017)

مصطلحات موضوعية: n/a, General Works

وصف الملف: electronic resource

Relation: https://www.mdpi.com/2504-3900/1/6/665; https://doaj.org/toc/2504-3900

URL الوصول: https://doaj.org/article/f7924fcb0904490f8c4115706b902d34

المؤلفون: Marina Miñarro-Lleonar, Andrea Bertran-Mostazo, Jorge Duro, Xavier Barril, Jordi Juárez-Jiménez

مصطلحات موضوعية: Drug Discovery, Molecular Medicine

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::35680f094b4d0a0a739861d5c3134043
https://doi.org/10.26434/chemrxiv-2022-3kpgm-v2

المؤلفون: Joanna Kowalczyk, Patrick Gamez, Joan Estelrich, Jordi Juárez-Jiménez, Alba Espargaró, Ana B. Caballero, Raimon Sabaté, Maria Antònia Busquets, Ettore Grapsi

المصدر: Biomacromolecules. 22:430-440

مصطلحات موضوعية: Polymers and Plastics, Amyloid, Bioengineering, 02 engineering and technology, Pharmacology, 010402 general chemistry, 01 natural sciences, Biomaterials, chemistry.chemical_compound, Alzheimer Disease, mental disorders, Materials Chemistry, medicine, Galantamine, Humans, Senile plaques, Donepezil, Rivastigmine, Amyloid beta-Peptides, Memantine, 021001 nanoscience & nanotechnology, Acetylcholinesterase, 0104 chemical sciences, chemistry, Nanoparticles, Protein Conformation, beta-Strand, Thioflavin, 0210 nano-technology, Copper, Ferrocyanides, medicine.drug

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3ecac2d081166917a0f0475c93ebc887
https://doi.org/10.1021/acs.biomac.0c01290

المؤلفون: David R. Glowacki, Jordi Juárez-Jiménez, Rebecca Sage, Philip Tew, Salomé Llabrés, Julien Michel, Michael O Connor

المصدر: Juárez-jiménez, J, Tew, P, O′connor, M, Llabrés, S, Sage, R, Glowacki, D & Michel, J 2020, ' Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes ', Journal of Chemical Information and Modeling . https://doi.org/10.1021/acs.jcim.0c00221

مصطلحات موضوعية: Millisecond, Protein Folding, biology, Markov chain, Computer science, Protein Conformation, General Chemical Engineering, Protein dynamics, Virtual Reality, Proteins, General Chemistry, Library and Information Sciences, Molecular Dynamics Simulation, Computer Science Applications, Visualization, Folding (chemistry), WW domain, Molecular dynamics, Protein structure, biology.protein, Thermodynamics, Protein folding, Biological system

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::588f58433ade6ee72a030c845a905c91
https://doi.org/10.26434/chemrxiv.11833470

المؤلفون: Jordi Juárez-Jiménez, David R. Glowacki, Rebecca Sage, Salomé Llabrés, Michael B. O'Connor, Philip Tew, Julien Michel

مصطلحات موضوعية: WW domain, Folding (chemistry), Molecular dynamics, Millisecond, Protein structure, biology, Markov chain, Computer science, Protein dynamics, biology.protein, Biological system, Visualization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::86ad85833bbadd534bb3efb34667a349
https://doi.org/10.26434/chemrxiv.11833470.v2

المؤلفون: Gregory R. Bowman, Julien Michel, Antonija Kuzmanic, Francesco Luigi Gervasio, Jordi Juárez-Jiménez

المصدر: Acc Chem Res
Accounts of Chemical Research, Vol. 53, No 3 (2020) pp. 654-661
Kuzmanic, A, Bowman, G R, Juarez-Jimenez, J, Michel, J & Gervasio, F L 2020, ' Investigating Cryptic Binding Sites by Molecular Dynamics Simulations ', Accounts of Chemical Research . https://doi.org/10.1021/acs.accounts.9b00613

مصطلحات موضوعية: Computer science, Druggability, Computational biology, Molecular Dynamics Simulation, 010402 general chemistry, Ligands, 01 natural sciences, Article, Molecular dynamics, Materials Science(all), Markov state models, Drug Discovery, Computational methods, Binding site, State model, ddc:615, Binding Sites, 010405 organic chemistry, Drug discovery, Protein dynamics, Metadynamics, General Medicine, General Chemistry, Markov Chains, 0104 chemical sciences, Solvents, Identification (biology), Atomistic molecular simulations

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e774bbff307e58452ab421804550a9c2
https://pubmed.ncbi.nlm.nih.gov/32134250

المؤلفون: Michael B. O'Connor, Julien Michel, David R. Glowacki, Salomé Llabrés, Rebecca Sage, Jordi Juárez-Jiménez, Philip Tew

مصطلحات موضوعية: WW domain, Folding (chemistry), Millisecond, Molecular dynamics, Protein structure, biology, Markov chain, Computer science, Protein dynamics, biology.protein, Biological system, Visualization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9ea38d62b4e822dc71c1e506ffebbadf
https://doi.org/10.26434/chemrxiv.11833470.v1

المؤلفون: Harris Ioannidis, Alessio De Simone, Arun A. Gupta, Jordi Juárez-Jiménez, Andrew Baldwin, Malcolm D. Walkinshaw, Gogulan Karunanithy, Julien Michel, Antonia S. J. S. Mey, Alison N. Hulme, Charis Georgiou, Paul N. Barlow

المصدر: Chemical Science
Juárez-jiménez, J, Gupta, A A, Karunanithy, G, Mey, A S J S, Georgiou, C, Ioannidis, H, De Simone, A, Barlow, P N, Hulme, A N, Walkinshaw, M D, Baldwin, A J & Michel, J 2020, ' Dynamic design : Manipulation of millisecond timescale motions on the energy landscape of cyclophilin A ', Chemical Science, vol. 11, no. 10, pp. 2670-2680 . https://doi.org/10.1039/C9SC04696H
Dipòsit Digital de la UB
Universidad de Barcelona

مصطلحات موضوعية: In silico, 010402 general chemistry, 01 natural sciences, Drug design, 03 medical and health sciences, Cyclophilin A, Compostos orgànics, Organic compounds, 030304 developmental biology, Physics, Compostos heterocíclics, 0303 health sciences, Millisecond, Disseny de medicaments, Drug discovery, Rational design, Energy landscape, Proteins, General Chemistry, Protein engineering, 0104 chemical sciences, Chemistry, Order (biology), Chemical physics, Excited state, Heterocyclic compounds, Proteïnes

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6d0ba71167b38389d43b04acead7d98d
http://hdl.handle.net/2445/179325