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Material Type: Artigo
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High‐accuracy refinement using Rosetta in CASP13Park, Hahnbeom ; Lee, Gyu Rie ; Kim, David E. ; Anishchenko, Ivan ; Cong, Qian ; Baker, DavidProteins, structure, function, and bioinformatics, 2019-12, Vol.87 (12), p.1276-1282 [Periódico revisado por pares]Hoboken, USA: John Wiley & Sons, IncTexto completo disponível |
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Material Type: Artigo
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Sampling and scoring: A marriage made in heavenVajda, Sandor ; Hall, David R. ; Kozakov, DimaProteins, structure, function, and bioinformatics, 2013-11, Vol.81 (11), p.1874-1884 [Periódico revisado por pares]United States: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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A Hybrid Cuckoo Search and Differential Evolution Approach to Protein⁻Ligand DockingLin, Hang ; Siu, Shirley W IInternational journal of molecular sciences, 2018-10, Vol.19 (10), p.3181 [Periódico revisado por pares]Switzerland: MDPITexto completo disponível |
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Material Type: Artigo
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PSOVina: The hybrid particle swarm optimization algorithm for protein–ligand dockingNg, Marcus C. K ; Fong, Simon ; Siu, Shirley W. IJournal of bioinformatics and computational biology, 2015-06, Vol.13 (3), p.1541007-1-1541007-18 [Periódico revisado por pares]Singapore: World Scientific Publishing Co. Pte., LtdTexto completo disponível |
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Material Type: Artigo
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Development of a new physics-based internal coordinate mechanics force field and its application to protein loop modelingArnautova, Yelena A. ; Abagyan, Ruben A. ; Totrov, MaximProteins, structure, function, and bioinformatics, 2011-02, Vol.79 (2), p.477-498 [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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Targeted conformational search with map-restrained self-guided Langevin dynamics: application to flexible fitting into electron microscopic density mapsWu, Xiongwu ; Subramaniam, Sriram ; Case, David A ; Wu, Katherine W ; Brooks, Bernard RJournal of structural biology, 2013-09, Vol.183 (3), p.429-440 [Periódico revisado por pares]United StatesTexto completo disponível |
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Material Type: Artigo
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Improving computational modeling coupled with ion mobility-mass spectrometry data for efficient drug metabolite structural determinationIvashchenko, Dmytro A. ; Cerqueira, Nuno M.F.S.A. ; Magalhães, Alexandre L.Structural chemistry, 2021, Vol.32 (5), p.1993-2005 [Periódico revisado por pares]New York: Springer USTexto completo disponível |
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Material Type: Artigo
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Algorithms for protein designTalluri, SekharAdvances in protein chemistry and structural biology, 2022, Vol.130, p.1-38 [Periódico revisado por pares]NetherlandsTexto completo disponível |
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Material Type: Artigo
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Efficiency of tabu-search-based conformational search algorithmsGrebner, Christoph ; Becker, Johannes ; Stepanenko, Svetlana ; Engels, BerndJournal of computational chemistry, 2011-07, Vol.32 (10), p.2245-2253 [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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GRID: A high-resolution protein structure refinement algorithmChitsaz, Mohsen ; Mayo, Stephen L.Journal of computational chemistry, 2013-03, Vol.34 (6), p.445-450 [Periódico revisado por pares]Hoboken: Wiley Subscription Services, Inc., A Wiley CompanyTexto completo disponível |