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Protein homology model refinement by large-scale energy optimizationPark, Hahnbeom ; Ovchinnikov, Sergey ; Kim, David E. ; DiMaio, Frank ; Baker, DavidProceedings of the National Academy of Sciences - PNAS, 2018-03, Vol.115 (12), p.3054-3059 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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Investigating Protein–Peptide Interactions Using the Schrödinger Computational SuiteBhachoo, Jas ; Beuming, ThijsMethods in molecular biology (Clifton, N.J.), 2017, Vol.1561, p.235-254New York, NY: Springer New YorkSem texto completo |
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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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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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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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Recent advances in automated protein design and its future challengesSetiawan, Dani ; Brender, Jeffrey ; Zhang, YangExpert opinion on drug discovery, 2018-07, Vol.13 (7), p.587-604 [Periódico revisado por pares]EnglandSem texto completo |
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Material Type: Artigo
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Generalized ensemble methods for de novo structure predictionShmygelska, Alena ; Levitt, MichaelProceedings of the National Academy of Sciences - PNAS, 2009-02, Vol.106 (5), p.1415-1420 [Periódico revisado por pares]United States: National Academy of SciencesTexto completo disponível |
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Material Type: Artigo
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Probabilistic Search and Energy Guidance for Biased Decoy Sampling in Ab Initio Protein Structure PredictionMolloy, Kevin ; Saleh, Sameh ; Shehu, AmardaIEEE/ACM transactions on computational biology and bioinformatics, 2013-09, Vol.10 (5), p.1162-1175 [Periódico revisado por pares]United States: IEEETexto 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 |
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Material Type: Artigo
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Conformational analysis of a modified RGD adhesive sequenceTriguero, Jordi ; Zanuy, David ; Alemán, CarlosJournal of peptide science, 2017-02, Vol.23 (2), p.172-181 [Periódico revisado por pares]England: Wiley Subscription Services, IncTexto completo disponível |