Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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1 |
Material Type: Artigo
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Molecular‐dynamics simulation methods for macromolecular crystallographyWych, David C. ; Aoto, Phillip C. ; Vu, Lily ; Wolff, Alexander M. ; Mobley, David L. ; Fraser, James S. ; Taylor, Susan S. ; Wall, Michael E.Acta crystallographica. Section D, Biological crystallography., 2023-01, Vol.79 (1), p.50-65 [Periódico revisado por pares]5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of CrystallographyTexto completo disponível |
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2 |
Material Type: Artigo
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Exploring ligand dynamics in protein crystal structures with ensemble refinementCaldararu, Octav ; Ekberg, Vilhelm ; Logan, Derek T. ; Oksanen, Esko ; Ryde, UlfActa crystallographica. Section D, Biological crystallography., 2021-08, Vol.77 (8), p.1099-1115 [Periódico revisado por pares]5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of CrystallographyTexto completo disponível |
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3 |
Material Type: Artigo
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The putative role of some conserved water molecules in the structure and function of human transthyretinBanerjee, Avik ; Dasgupta, Subrata ; Mukhopadhyay, Bishnu P. ; Sekar, KanagarajActa crystallographica. Section D, Biological crystallography., 2015-11, Vol.71 (11), p.2248-2266 [Periódico revisado por pares]5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of CrystallographyTexto completo disponível |
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4 |
Material Type: Artigo
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Structural insights into the synthesis of FMN in prokaryotic organismsHerguedas, Beatriz ; Lans, Isaias ; Sebastián, María ; Hermoso, Juan A. ; Martínez-Júlvez, Marta ; Medina, MilagrosActa crystallographica. Section D, Biological crystallography., 2015-12, Vol.71 (12), p.2526-2542 [Periódico revisado por pares]5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of CrystallographyTexto completo disponível |
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5 |
Material Type: Artigo
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Wetting and Interfacial Properties of Water Nanodroplets in Contact with Graphene and Monolayer Boron–Nitride SheetsLi, Hui ; Zeng, Xiao ChengACS nano, 2012-03, Vol.6 (3), p.2401-2409 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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6 |
Material Type: Artigo
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Large-scale molecular dynamics simulation of perfluorosulfonic acid membranes: Remapping coarse-grained to all-atomistic simulationsKuo, An-Tsung ; Miyazaki, Yusuke ; Jang, Changwoon ; Miyajima, Tatsuya ; Urata, Shingo ; Nielsen, Steven O. ; Okazaki, Susumu ; Shinoda, WataruPolymer (Guilford), 2019-10, Vol.181, p.121766, Article 121766 [Periódico revisado por pares]Kidlington: Elsevier LtdTexto completo disponível |
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7 |
Material Type: Artigo
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Pressure‐driven homogenization of lithium disilicate glassesBakhouch, Yasser ; Buchner, Silvio ; Silveira, Rafael Abel ; Resende, Leonardo ; Pereira, Altair Soria ; Hasnaoui, Abdellatif ; Atila, AchrafJournal of the American Ceramic Society, 2024-07, Vol.107 (7), p.4572-4584 [Periódico revisado por pares]Columbus: Wiley Subscription Services, IncTexto completo disponível |
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8 |
Material Type: Artigo
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What Have We Learnt About the Mechanisms of Rapid Water Transport, Ion Rejection and Selectivity in Nanopores from Molecular Simulation?Thomas, Michael ; Corry, Ben ; Hilder, Tamsyn A.Small (Weinheim an der Bergstrasse, Germany), 2014-04, Vol.10 (8), p.1453-1465 [Periódico revisado por pares]Germany: Blackwell Publishing LtdTexto completo disponível |
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9 |
Material Type: Artigo
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Tuning the Mechanical Properties of Graphene Oxide Paper and Its Associated Polymer Nanocomposites by Controlling Cooperative Intersheet Hydrogen BondingCompton, Owen C ; Cranford, Steven W ; Putz, Karl W ; An, Zhi ; Brinson, L. Catherine ; Buehler, Markus J ; Nguyen, SonBinh TACS nano, 2012-03, Vol.6 (3), p.2008-2019 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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Probing the Self-Assembly Mechanism of Diphenylalanine-Based Peptide Nanovesicles and NanotubesGuo, Cong ; Luo, Yin ; Zhou, Ruhong ; Wei, GuanghongACS nano, 2012-05, Vol.6 (5), p.3907-3918 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |