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1دورية أكاديمية
المؤلفون: Beste Ozaydin, Carles Curutchet
المصدر: Frontiers in Molecular Biosciences, Vol 10 (2023)
مصطلحات موضوعية: photosynthetic light harvesting, pigment-protein complexes, cryptophytes, multiscale QM/MM models, exciton states, molecular dynamics, Biology (General), QH301-705.5
وصف الملف: electronic resource
العلاقة: https://www.frontiersin.org/articles/10.3389/fmolb.2023.1268278/fullTest; https://doaj.org/toc/2296-889XTest
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2دورية أكاديمية
المؤلفون: Renato D. Cunha, Livia J. Ferreira, Ednilsom Orestes, Mauricio D. Coutinho-Neto, James M. de Almeida, Rogério M. Carvalho, Cleiton D. Maciel, Carles Curutchet, Paula Homem-de-Mello
المصدر: Computation, Vol 10, Iss 10, p 170 (2022)
مصطلحات موضوعية: naphthenic acids, molecular dynamics, MST-IEFPCM, log P, aggregation, solvation, Electronic computers. Computer science, QA75.5-76.95
وصف الملف: electronic resource
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المؤلفون: William J. Zamora Ramírez, Antonio Viayna, Silvana Pinheiro, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols, F. Javier Luque
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::615523e9e6edf1ac3912dcc7dea42355Test
https://doi.org/10.26434/chemrxiv-2023-fg64sTest -
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المؤلفون: Valentin Maffeis, Elisabet Romero, Saeed Shareef, Luís Duarte, LUISA XIOMARA HALLADO ABAUNZA, Mariano Curti, Carles Curutchet
المصدر: Protein Science. 32
مصطلحات موضوعية: Molecular Biology, Biochemistry
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::516c8b6108f2597482dd347caf8b0f4cTest
https://doi.org/10.1002/pro.4579Test -
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المؤلفون: William J. Zamora, Silvana Pinheiro, Antonio Viayna, Carles Curutchet, Laia Bisbal, Rebeca Ruiz, Clara Ràfols, F. Javier Luque
مصطلحات موضوعية: toluene/water partition coefficient, logP, SAMPL Challenges, Intramolecular hydrogen bonds
العلاقة: https://zenodo.org/record/7884699Test; https://doi.org/10.5281/zenodo.7884699Test; oai:zenodo.org:7884699
الإتاحة: https://doi.org/10.5281/zenodo.7884699Test
https://doi.org/10.5281/zenodo.7884698Test
https://zenodo.org/record/7884699Test -
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المؤلفون: Beste Ozaydin, Carles Curutchet
مصطلحات موضوعية: Biochemistry, Molecular Biology, Structural Biology, Enzymes, Protein Trafficking, Proteomics and Intermolecular Interactions (excl. Medical Proteomics), Receptors and Membrane Biology, Signal Transduction, Structural Biology (incl. Macromolecular Modelling), Synthetic Biology, photosynthetic light harvesting, pigment-protein complexes, cryptophytes, multiscale QM/MM models, exciton states, molecular dynamics
الإتاحة: https://doi.org/10.3389/fmolb.2023.1268278.s001Test
https://figshare.com/articles/dataset/DataSheet1_Unraveling_the_role_of_thermal_fluctuations_on_the_exciton_structure_of_the_cryptophyte_PC612_and_PC645_photosynthetic_antenna_complexes_pdf/24154488Test -
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المصدر: Journal of Molecular Graphics and Modelling. 122:108460
مصطلحات موضوعية: Materials Chemistry, Physical and Theoretical Chemistry, Computer Graphics and Computer-Aided Design, Spectroscopy
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::e9512be61392bd57c1ab924df23ebe64Test
https://doi.org/10.1016/j.jmgm.2023.108460Test -
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المصدر: Dipòsit Digital de la UB
Universidad de Barcelonaمصطلحات موضوعية: Bioquímica, Pharmacology, 0303 health sciences, Farmacologia, Rank (linear algebra), Implicit solvation, Solvatació, Thermodynamics, Solvation, 010402 general chemistry, 01 natural sciences, Integral equation, Biochemistry, Acid dissociation constant, 0104 chemical sciences, Computer Science Applications, Partition coefficient, 03 medical and health sciences, Square error, Drug Discovery, Octanol water partition, Physical and Theoretical Chemistry, 030304 developmental biology, Mathematics
وصف الملف: application/pdf
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef6de8b9abca00ee85c0a4cde35a1ec1Test
http://hdl.handle.net/2445/179838Test -
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المصدر: Journal of Computer-Aided Molecular Design
مصطلحات موضوعية: Octanols, Sulfonamides, Models, Statistical, Physical properties, Continuum solvation models, Computational Biology, Water, Dipeptides, MST model, Ligands, Article, Conformational study, Solubility, Solvation free energy, SAMPL7, Water-octanol log P, Humans, Quantum Theory, Thermodynamics, pKa, Computer Simulation, Software
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=pmid________::52814fad09ae7964b0030788075cc923Test
https://pubmed.ncbi.nlm.nih.gov/34244905Test