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Material Type: Artigo
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An open-source drug discovery platform enables ultra-large virtual screensGorgulla, Christoph ; Boeszoermenyi, Andras ; Wang, Zi-Fu ; Fischer, Patrick D ; Coote, Paul W ; Padmanabha Das, Krishna M ; Malets, Yehor S ; Radchenko, Dmytro S ; Moroz, Yurii S ; Scott, David A ; Fackeldey, Konstantin ; Hoffmann, Moritz ; Iavniuk, Iryna ; Wagner, Gerhard ; Arthanari, HaribabuNature (London), 2020-04, Vol.580 (7805), p.663-668 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |
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Material Type: Artigo
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Molecular Docking: Shifting Paradigms in Drug DiscoveryPinzi, Luca ; Rastelli, GiulioInternational journal of molecular sciences, 2019-09, Vol.20 (18), p.4331 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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Material Type: Artigo
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New additions to the ClusPro server motivated by CAPRIVajda, Sandor ; Yueh, Christine ; Beglov, Dmitri ; Bohnuud, Tanggis ; Mottarella, Scott E. ; Xia, Bing ; Hall, David R. ; Kozakov, DimaProteins, structure, function, and bioinformatics, 2017-03, Vol.85 (3), p.435-444 [Periódico revisado por pares]United States: Wiley Subscription Services, IncTexto completo disponível |
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Material Type: Artigo
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PLIP: fully automated protein-ligand interaction profilerSalentin, Sebastian ; Schreiber, Sven ; Haupt, V Joachim ; Adasme, Melissa F ; Schroeder, MichaelNucleic acids research, 2015-07, Vol.43 (W1), p.W443-W447 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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Improvements, trends, and new ideas in molecular docking: 2012-2013 in reviewYuriev, Elizabeth ; Holien, Jessica ; Ramsland, Paul A.Journal of molecular recognition, 2015-10, Vol.28 (10), p.581-604 [Periódico revisado por pares]England: Blackwell Publishing LtdTexto completo disponível |
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Material Type: Artigo
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Machine-learning methods for ligand–protein molecular dockingCrampon, Kevin ; Giorkallos, Alexis ; Deldossi, Myrtille ; Baud, Stéphanie ; Steffenel, Luiz AngeloDrug discovery today, 2022-01, Vol.27 (1), p.151-164 [Periódico revisado por pares]England: Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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Molecular docking and structure-based drug design strategiesFerreira, Leonardo G ; Dos Santos, Ricardo N ; Oliva, Glaucius ; Andricopulo, Adriano DMolecules, 2015-07, Vol.20 (7), p.13384-13421 [Periódico revisado por pares]Switzerland: MDPI AGTexto completo disponível |
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Material Type: Artigo
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Modeling of protein–peptide interactions using the CABS-dock web server for binding site search and flexible dockingBlaszczyk, Maciej ; Kurcinski, Mateusz ; Kouza, Maksim ; Wieteska, Lukasz ; Debinski, Aleksander ; Kolinski, Andrzej ; Kmiecik, SebastianMethods (San Diego, Calif.), 2016-01, Vol.93, p.72-83 [Periódico revisado por pares]United States: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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HawkDock: a web server to predict and analyze the protein-protein complex based on computational docking and MM/GBSAWeng, Gaoqi ; Wang, Ercheng ; Wang, Zhe ; Liu, Hui ; Zhu, Feng ; Li, Dan ; Hou, TingjunNucleic acids research, 2019-07, Vol.47 (W1), p.W322-W330 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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Ultra-large library docking for discovering new chemotypesLyu, Jiankun ; Wang, Sheng ; Balius, Trent E ; Singh, Isha ; Levit, Anat ; Moroz, Yurii S ; O'Meara, Matthew J ; Che, Tao ; Algaa, Enkhjargal ; Tolmachova, Kateryna ; Tolmachev, Andrey A ; Shoichet, Brian K ; Roth, Bryan L ; Irwin, John JNature (London), 2019-02, Vol.566 (7743), p.224-229 [Periódico revisado por pares]England: Nature Publishing GroupTexto completo disponível |