المؤلفون: Maciej Majewski, Adrià Pérez, Philipp Thölke, Stefan Doerr, Nicholas E. Charron, Toni Giorgino, Brooke E. Husic, Cecilia Clementi, Frank Noé, Gianni De Fabritiis

المصدر: Nature Communications, Vol 14, Iss 1, Pp 1-13 (2023)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/7874019063c44680acebcb0eb6d2fbc6

المؤلفون: Edgar Olehnovics, Junqi Yin, Adrià Pérez, Gianni De Fabritiis, Robert A. Bonomo, Debsindhu Bhowmik, Shozeb Haider

المصدر: Frontiers in Microbiology, Vol 12 (2021)

مصطلحات موضوعية: β-lactamase, class A, hydrophobic nodes, Markov state model, deep learning, molecular dynamics, Microbiology, QR1-502

وصف الملف: electronic resource

Relation: https://www.frontiersin.org/articles/10.3389/fmicb.2021.720991/full; https://doaj.org/toc/1664-302X

URL الوصول: https://doaj.org/article/207d9401f8e24b0391affe1a99d428c3

المؤلفون: Jiang Wang, Simon Olsson, Christoph Wehmeyer, Adrià Pérez, Nicholas E. Charron, Gianni de Fabritiis, Frank Noé, Cecilia Clementi

المصدر: ACS Central Science, Vol 5, Iss 5, Pp 755-767 (2019)

مصطلحات موضوعية: Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2374-7951

URL الوصول: https://doaj.org/article/30b9439a49cc4210a908feadfcaeddd4

المؤلفون: Adrià Pérez, Miquel

Thesis Advisors: Esteban Penelas, José Luis

المصدر: UEM

مصطلحات موضوعية: O'Gorman, Juan (1905-1982), Pani, Mario (1911-1993), Barragán, Luis (1902-1988), González de León, Teodoro (1926-), Arquitectos -- s. 20 -- México

URL الوصول: http://hdl.handle.net/11268/1291

المؤلفون: Stefan Doerr (4332823), Maciej Majewski (8502201), Adrià Pérez (6588584), Andreas Krämer (3286917), Cecilia Clementi (652105), Frank Noe (10319380), Toni Giorgino (4332820), Gianni De Fabritiis (279560)

مصطلحات موضوعية: Biophysics, Cell Biology, Genetics, Neuroscience, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Molecular Simulations Molecular dyn., TorchMD, Coulomb interactions, Deep Learning Framework, simulating, coarse-grained model, data-driven models, PyTorch arrays, ab initio, network potentials, Amber all-atom simulations, force computations

Relation: https://figshare.com/articles/journal_contribution/TorchMD_A_Deep_Learning_Framework_for_Molecular_Simulations/14233147

الاتاحة: https://doi.org/10.1021/acs.jctc.0c01343.s001

المؤلفون: Veronika Cheplygina, Adria Perez-Rovira, Wieying Kuo, Harm A W M Tiddens, Marleen de Bruijne

المصدر: PLoS ONE, Vol 16, Iss 4, p e0249580 (2021)

مصطلحات موضوعية: Medicine, Science

Relation: https://doi.org/10.1371/journal.pone.0249580; https://doaj.org/toc/1932-6203; https://doaj.org/article/f4329c965cbe40668a5ea8754fc3e43f

الاتاحة: https://doi.org/10.1371/journal.pone.0249580
https://doaj.org/article/f4329c965cbe40668a5ea8754fc3e43f

المؤلفون: Francesc Sabanés Zariquiey, Adrià Pérez, Maciej Majewski, Emilio Gallicchio, Gianni De Fabritiis

المصدر: ArXiv

مصطلحات موضوعية: Chemical Physics (physics.chem-ph), General Chemical Engineering, Physics - Chemical Physics, FOS: Biological sciences, FOS: Physical sciences, General Chemistry, Library and Information Sciences, Quantitative Biology - Quantitative Methods, Article, Quantitative Methods (q-bio.QM), Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7ebbde3b34325e741a97ba4af1c3f617

المؤلفون: Adria Perez, Maciej Majewski, Stefan Doerr, Gianni De Fabritiis

Relation: https://github.com/torchmd/torchmd-protein-thermodynamics/tree/0.0.1; https://doi.org/10.5281/zenodo.8155342; https://doi.org/10.5281/zenodo.8155343; oai:zenodo.org:8155343

الاتاحة: https://doi.org/10.5281/zenodo.8155343

المؤلفون: Pablo Herrera-Nieto, Gianni De Fabritiis, Adrià Pérez

المصدر: Journal of Chemical Information and Modeling

مصطلحات موضوعية: 010304 chemical physics, Protein Conformation, Chemistry, General Chemical Engineering, Context (language use), General Chemistry, Molecular Dynamics Simulation, Library and Information Sciences, Ligands, Ligand (biochemistry), Intrinsically disordered proteins, 01 natural sciences, Small molecule, 0104 chemical sciences, Computer Science Applications, Intrinsically Disordered Proteins, 010404 medicinal & biomolecular chemistry, Molecular dynamics, Modulation, 0103 physical sciences, Bound state, Biophysics, Peptides

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0f92aaef6245b8f8618c0fd8e62308d3
https://doi.org/10.1021/acs.jcim.0c00381

المؤلفون: Katja Mogalle, Adria Perez-Rovira, Pierluigi Ciet, Stephan C A Wens, Pieter A van Doorn, Harm A W M Tiddens, Ans T van der Ploeg, Marleen de Bruijne

المصدر: PLoS ONE, Vol 11, Iss 7, p e0158912 (2016)

مصطلحات موضوعية: Medicine, Science

Relation: http://europepmc.org/articles/PMC4938606?pdf=render; https://doaj.org/toc/1932-6203; https://doaj.org/article/6669b96a54f44c6cb74bc8c5189568b5

الاتاحة: https://doi.org/10.1371/journal.pone.0158912
https://doaj.org/article/6669b96a54f44c6cb74bc8c5189568b5

المؤلفون: Tepper, Leonie A., Caudri, Daan, Rovira, Adria Perez, Tiddens, Harm A. W. M., de Bruijne, Marleen

المصدر: Tepper , L A , Caudri , D , Rovira , A P , Tiddens , H A W M & de Bruijne , M 2016 , ' The development of bronchiectasis on chest computed tomography in children with cystic fibrosis : can pre-stages be identified? ' , European Radiology , vol. 26 , no. 12 , pp. 4563-4569 . https://doi.org/10.1007/s00330-016-4329-z

وصف الملف: application/pdf

الاتاحة: https://researchprofiles.ku.dk/da/publications/the-development-of-bronchiectasis-on-chest-computed-tomography-in-children-with-cystic-fibrosis(3c07637f-e393-4d18-bd09-ff40e27707a4).html
https://doi.org/10.1007/s00330-016-4329-z
https://curis.ku.dk/ws/files/172094274/Tepper_2016_The_development_of_bronchiectasis.pdf

المؤلفون: Adria Perez, Alvaro

المساهمون: Universitat Politècnica de Catalunya. Departament de Física, NanoSat Lab, Hyuk, Park, Camps Carmona, Adriano José

مصطلحات موضوعية: Àrees temàtiques de la UPC::Enginyeria de la telecomunicació::Radiocomunicació i exploració electromagnètica::Satèl·lits i ràdioenllaços, Antennas (Electronics), CubeSat, NanoSat, Space Engineering, Antenna Depolyment. Fresnel plate zone antenna, Antenes (Electrònica)

وصف الملف: application/pdf

Relation: http://hdl.handle.net/2117/372633; PRISMA-171896

الاتاحة: http://hdl.handle.net/2117/372633

المؤلفون: Gianni De Fabritiis, Stefan Doerr, Adrià Pérez, Pablo Herrera-Nieto

المصدر: Journal of chemical theory and computation. 16(7)

مصطلحات موضوعية: Mathematical optimization, Protein Folding, Adaptive sampling, 010304 chemical physics, Basis (linear algebra), Computer science, Microfilament Proteins, Sampling (statistics), Proteins, Folding (DSP implementation), Molecular Dynamics Simulation, 01 natural sciences, Multi-armed bandit, Computer Science Applications, symbols.namesake, Distribution (mathematics), 0103 physical sciences, symbols, Physical and Theoretical Chemistry, Focus (optics), Algorithms, Gibbs sampling

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8b195c011b212dae4146459473f47b1
https://pubmed.ncbi.nlm.nih.gov/32539384

المؤلفون: Edgar Olehnovics (11460142), Junqi Yin (3707578), Adrià Pérez (11460145), Gianni De Fabritiis (279560), Robert A. Bonomo (188763), Debsindhu Bhowmik (2545723), Shozeb Haider (1411420)

مصطلحات موضوعية: Microbiology, Microbial Genetics, Microbial Ecology, Mycology, β-lactamase, class A, hydrophobic nodes, Markov state model, deep learning, molecular dynamics

Relation: https://figshare.com/articles/dataset/Data_Sheet_1_The_Role_of_Hydrophobic_Nodes_in_the_Dynamics_of_Class_A_-Lactamases_pdf/16651075

الاتاحة: https://doi.org/10.3389/fmicb.2021.720991.s001

المؤلفون: Veronika Cheplygina (5855888), Adria Perez-Rovira (3156276), Wieying Kuo (10687670), Harm A. W. M. Tiddens (9582542), Marleen de Bruijne (135634)

مصطلحات موضوعية: Medicine, Cell Biology, Genetics, Sociology, Science Policy, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, scan, crowd workers, Crowdsourcing airway annotations, CT, correlation

Relation: https://figshare.com/articles/figure/Example_results_acquired_for_the_same_task_Valid_result_with_two_annotations_and_two_invalid_results_A_worker_who_indicates_not_seeing_an_airway_and_a_worker_who_detects_the_airway_but_does_not_outline_it_/14468729

الاتاحة: https://doi.org/10.1371/journal.pone.0249580.g003

المؤلفون: Veronika Cheplygina (5855888), Adria Perez-Rovira (3156276), Wieying Kuo (10687670), Harm A. W. M. Tiddens (9582542), Marleen de Bruijne (135634)

مصطلحات موضوعية: Medicine, Cell Biology, Genetics, Sociology, Science Policy, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, scan, crowd workers, Crowdsourcing airway annotations, CT, correlation

Relation: https://figshare.com/articles/figure/Measurements_of_the_outer_airway_comparing_expert_1_x-axis_and_to_three_combining_methods_and_expert_2_y-axis_/14468738

الاتاحة: https://doi.org/10.1371/journal.pone.0249580.g006

المؤلفون: Veronika Cheplygina (5855888), Adria Perez-Rovira (3156276), Wieying Kuo (10687670), Harm A. W. M. Tiddens (9582542), Marleen de Bruijne (135634)

مصطلحات موضوعية: Medicine, Cell Biology, Genetics, Sociology, Science Policy, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, scan, crowd workers, Crowdsourcing airway annotations, CT, correlation

Relation: https://figshare.com/articles/dataset/Spearman_correlation_between_the_crowd_quality_measured_by_the_crowd-expert_correlation_of_the_inner_airway_and_five_subject_characteristics_/14468759

الاتاحة: https://doi.org/10.1371/journal.pone.0249580.t004

المؤلفون: Adrià Pérez Culubret (10124597), Gianni De Fabritiis (98910)

مصطلحات موضوعية: Computational Physics, Computational Chemistry, MD simulations, Folding, ACEMD, CHARMM22, Chignolin

Relation: https://figshare.com/articles/dataset/Chignolin_Simulations/13858898

الاتاحة: https://doi.org/10.6084/m9.figshare.13858898.v1

المؤلفون: Gianni De Fabritiis, Pablo Herrera-Nieto, Adrià Pérez

المصدر: Scientific Reports, Vol 10, Iss 1, Pp 1-2 (2020)
Scientific Reports

مصطلحات موضوعية: Physics, Millisecond, Multidisciplinary, lcsh:R, lcsh:Medicine, Molecular Dynamics Simulation, Protein Structure, Secondary, Domain (software engineering), Characterization (materials science), Molecular dynamics, Protein Domains, Terminal (electronics), Chemical physics, lcsh:Q, Amino Acid Sequence, Tumor Suppressor Protein p53, Author Correction, lcsh:Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b8c6a1c17bc1f0e2936c046a179c5ef7
http://link.springer.com/article/10.1038/s41598-020-72315-w

المؤلفون: Gianni De Fabritiis, Adrià Pérez, Pablo Herrera-Nieto

المصدر: Scientific Reports
Scientific Reports, Vol 10, Iss 1, Pp 1-8 (2020)

مصطلحات موضوعية: Protein domain, Population, lcsh:Medicine, 010402 general chemistry, Intrinsically disordered proteins, 01 natural sciences, Article, Molecular dynamics, Protein structure, 0103 physical sciences, Statistical physics, lcsh:Science, education, Physics, education.field_of_study, Millisecond, Multidisciplinary, 010304 chemical physics, Markov chain, lcsh:R, Proteins, 0104 chemical sciences, Characterization (materials science), lcsh:Q, Peptides

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6fd4b69aa48121d4e7ca16740f2853f1