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1دورية أكاديميةChanalyzer: A Computational Geometry Approach for the Analysis of Protein Channel Shape and Dynamics
المؤلفون: Andrea Raffo, Luca Gagliardi, Ulderico Fugacci, Luca Sagresti, Simone Grandinetti, Giuseppe Brancato, Silvia Biasotti, Walter Rocchia
المصدر: Frontiers in Molecular Biosciences, Vol 9 (2022)
مصطلحات موضوعية: channel and pore characterization, computational geometry, molecular surface, molecular dynamics, skeletonization, alpha shapes theory, Biology (General), QH301-705.5
وصف الملف: electronic resource
العلاقة: https://www.frontiersin.org/articles/10.3389/fmolb.2022.933924/fullTest; https://doaj.org/toc/2296-889XTest
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2دورية أكاديمية
المصدر: Molecules, Vol 28, Iss 9, p 3834 (2023)
مصطلحات موضوعية: density functional theory, water clusters, water intermolecular energy, dispersion corrections, DFT-D4, Organic chemistry, QD241-441
وصف الملف: electronic resource
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3دورية أكاديمية
المؤلفون: Katia Arena, Giuseppe Brancato, Francesco Cacciola, Francesco Crea, Salvatore Cataldo, Concetta De Stefano, Sofia Gama, Gabriele Lando, Demetrio Milea, Luigi Mondello, Alberto Pettignano, Winfried Plass, Silvio Sammartano
المصدر: Biomolecules, Vol 10, Iss 6, p 930 (2020)
مصطلحات موضوعية: chemical speciation, metal complexes, metallophores, molybdate, natural chelants, sequestration, Microbiology, QR1-502
وصف الملف: electronic resource
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4دورية أكاديمية
المؤلفون: Balasubramanian Chandramouli, Danilo Di Maio, Giordano Mancini, Vincenzo Barone, Giuseppe Brancato
المصدر: PLoS ONE, Vol 10, Iss 3, p e0120196 (2015)
وصف الملف: electronic resource
العلاقة: https://doaj.org/toc/1932-6203Test
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5دورية أكاديمية
المصدر: PLoS ONE, Vol 10, Iss 10, p e0140258 (2015)
وصف الملف: electronic resource
العلاقة: http://europepmc.org/articles/PMC4605793?pdf=renderTest; https://doaj.org/toc/1932-6203Test
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6دورية أكاديمية
المؤلفون: Nuno Barbosa (1549567), Marco Pagliai (1282797), Sourab Sinha (1524322), Vincenzo Barone (715248), Dario Alfè (1310541), Giuseppe Brancato (715249)
مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, affordable computational cost, ab initio <, established d3 version, molecular systems ranging, d3 model, molecular dynamics, molecular clusters, ∼ 0, test case, successfully reaching, statistical error, software packages, small clusters, simple protocol, principles condensed, practical approaches, phase simulations, mesoscopic samples, intermolecular interactions, interaction energy, growing size, fine tuning, emerged among
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7دورية أكاديمية
المؤلفون: Francesco Cardarelli, Sara Macchi, Balasubramanian Chandramouli, Nicholus Bhattacharjee, Giuseppe Brancato, Muhammad Jan Akhunzada
مصطلحات موضوعية: Physical and Theoretical Chemistry, General Physics and Astronomy
العلاقة: url:https://www.openaccessrepository.it/communities/itmirrorTest; https://www.openaccessrepository.it/record/138591Test
الإتاحة: https://doi.org/10.1039/c7cp05103dTest
https://www.openaccessrepository.it/record/138591Test -
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المؤلفون: Luca Sagresti, Lorenzo Peri, Giacomo Ceccarelli, Giuseppe Brancato
المساهمون: Sagresti, Luca, Peri, Lorenzo, Ceccarelli, Giacomo, Brancato, Giuseppe
المصدر: Journal of chemical theory and computation. 18(5)
مصطلحات موضوعية: aqueous-solution, Ions, water, Water, Molecular Dynamics Simulation, solvent, Computer Science Applications, free-energy, water exchange, thermodynamic, molecular dynamics simulation, Solvents, Thermodynamics, Physical and Theoretical Chemistry, Ion, Settore CHIM/02 - Chimica Fisica
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7735fa882e899219dbe9361d9ff0ccb8Test
https://pubmed.ncbi.nlm.nih.gov/35471007Test -
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المؤلفون: Luca Sagresti, Giuseppe Brancato, Nuno Barbosa
المساهمون: Barbosa, N., Sagresti, L., Brancato, G.
المصدر: Physical Chemistry Chemical Physics. 23:25170-25179
مصطلحات موضوعية: Photoswitch, Photoisomerization, Base pair, Nucleic Acid Hybridization, General Physics and Astronomy, Cooperativity, DNA, Molecular Dynamics Simulation, Photochemical Processes, Azo Compound, Photochemical Processe, chemistry.chemical_compound, Azobenzene, chemistry, Duplex (building), Chemical physics, Physical and Theoretical Chemistry, Azo Compounds, Isomerization, Settore CHIM/02 - Chimica Fisica
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6ad49fb0634e264bcdd482bf5ccc54aTest
https://doi.org/10.1039/d1cp04032dTest -
10
المصدر: Angewandte Chemie. 132:21410-21415
مصطلحات موضوعية: General Medicine
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::3f521980c868970ba0bea8c66e45d650Test
https://doi.org/10.1002/ange.202010133Test