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Material Type: Artigo
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Binding of Capsaicin to the TRPV1 Ion ChannelDarré, Leonardo ; Domene, CarmenMolecular pharmaceutics, 2015-12, Vol.12 (12), p.4454-4465 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Coarse-grained molecular dynamics simulations of protein-ligand bindingNegami, Tatsuki ; Shimizu, Kentaro ; Terada, TohruJournal of computational chemistry, 2014-09, Vol.35 (25), p.1835-1845 [Periódico revisado por pares]United States: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Molecular docking, validation, dynamics simulations, and pharmacokinetic prediction of natural compounds against the SARS-CoV-2 main-proteaseC, Shivanika ; S., Deepak Kumar ; Ragunathan, Venkataraghavan ; Tiwari, Pawan ; A., Sumitha ; P, Brindha DeviJournal of biomolecular structure & dynamics, 2022-02, Vol.40 (2), p.585-611 [Periódico revisado por pares]England: Taylor & FrancisTexto completo disponível |
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Material Type: Artigo
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How do carbon nanotubes serve as carriers for gemcitabine transport in a drug delivery system?Arsawang, Uthumporn ; Saengsawang, Oraphan ; Rungrotmongkol, Thanyada ; Sornmee, Purinchaya ; Wittayanarakul, Kitiyaporn ; Remsungnen, Tawun ; Hannongbua, SupotJournal of molecular graphics & modelling, 2011-02, Vol.29 (5), p.591-596 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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Atomic-level characterization of protein–protein associationPan, Albert C. ; Jacobson, Daniel ; Yatsenko, Konstantin ; Sritharan, Duluxan ; Weinreich, Thomas M. ; Shaw, David E.Proceedings of the National Academy of Sciences - PNAS, 2019-03, Vol.116 (10), p.4244-4249 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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Material Type: Artigo
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MDAnalysis: A toolkit for the analysis of molecular dynamics simulationsMichaud-Agrawal, Naveen ; Denning, Elizabeth J. ; Woolf, Thomas B. ; Beckstein, OliverJournal of computational chemistry, 2011-07, Vol.32 (10), p.2319-2327 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |
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Material Type: Artigo
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How cholesterol stiffens unsaturated lipid membranesChakraborty, Saptarshi ; Doktorova, Milka ; Molugu, Trivikram R. ; Heberle, Frederick A. ; Scott, Haden L. ; Dzikovski, Boris ; Nagao, Michihiro ; Stingaciu, Laura-Roxana ; Standaert, Robert F. ; Barrera, Francisco N. ; Katsaras, John ; Khelashvili, George ; Brown, Michael F. ; Ashkar, RanaProceedings of the National Academy of Sciences - PNAS, 2020-09, Vol.117 (36), p.21896-21905 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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Material Type: Artigo
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Adsorption of tetracyclines onto polyethylene microplastics: A combined study of experiment and molecular dynamics simulationChen, Yajun ; Li, Jining ; Wang, Fenghe ; Yang, Hao ; Liu, LeiChemosphere (Oxford), 2021-02, Vol.265, p.129133, Article 129133 [Periódico revisado por pares]England: Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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Heterogeneous and rate-dependent streptavidin–biotin unbinding revealed by high-speed force spectroscopy and atomistic simulationsRico, Felix ; Russek, Andreas ; González, Laura ; Grubmüller, Helmut ; Scheuring, SimonProceedings of the National Academy of Sciences - PNAS, 2019-04, Vol.116 (14), p.6594-6601 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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Material Type: Artigo
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Distance restraints from crosslinking mass spectrometry: Mining a molecular dynamics simulation database to evaluate lysine–lysine distancesMerkley, Eric D. ; Rysavy, Steven ; Kahraman, Abdullah ; Hafen, Ryan P. ; Daggett, Valerie ; Adkins, Joshua N.Protein science, 2014-06, Vol.23 (6), p.747-759 [Periódico revisado por pares]United States: Wiley Subscription Services, IncTexto completo disponível |