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Material Type: Artigo
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Quantum Mechanics/Molecular Mechanics Modeling of Covalent Addition between EGFR–Cysteine 797 and N‑(4-Anilinoquinazolin-6-yl) AcrylamideCapoferri, Luigi ; Lodola, Alessio ; Rivara, Silvia ; Mor, MarcoJournal of chemical information and modeling, 2015-03, Vol.55 (3), p.589-599 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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DNA origami nano-mechanicsJi, Jiahao ; Karna, Deepak ; Mao, HanbinChemical Society reviews, 2021-11, Vol.5 (21), p.11966-11978 [Periódico revisado por pares]England: Royal Society of ChemistryTexto completo disponível |
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3 |
Material Type: Artigo
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High‐throughput quantum‐mechanics/molecular‐mechanics (ONIOM) macromolecular crystallographic refinement with PHENIX/DivCon: the impact of mixed Hamiltonian methods on ligand and protein structureBorbulevych, Oleg ; Martin, Roger I. ; Westerhoff, Lance M.Acta crystallographica. Section D, Biological crystallography., 2018-11, Vol.74 (11), p.1063-1077 [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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Mechanics of hard-magnetic soft materialsZhao, Ruike ; Kim, Yoonho ; Chester, Shawn A. ; Sharma, Pradeep ; Zhao, XuanheJournal of the mechanics and physics of solids, 2019-03, Vol.124, p.244-263 [Periódico revisado por pares]London: Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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Breakage mechanics—Part I: TheoryEinav, ItaiJournal of the mechanics and physics of solids, 2007-06, Vol.55 (6), p.1274-1297 [Periódico revisado por pares]Elsevier LtdTexto completo disponível |
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Material Type: Artigo
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The Retaining Mechanism of Xylose Transfer Catalyzed by Xyloside α‑1,3-Xylosyltransferase (XXYLT1): a Quantum Mechanics/Molecular Mechanics StudyYan, Lijuan ; Liu, YongjunJournal of chemical information and modeling, 2020-03, Vol.60 (3), p.1585-1594 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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Mechanics Design in Cellulose‐Enabled High‐Performance Functional MaterialsRay, Upamanyu ; Zhu, Shuze ; Pang, Zhenqian ; Li, TengAdvanced materials (Weinheim), 2021-07, Vol.33 (28), p.e2002504-n/a [Periódico revisado por pares]Weinheim: Wiley Subscription Services, IncTexto completo disponível |
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8 |
Material Type: Artigo
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Theoretical investigations of a platinum-water interface using quantum-mechanics-molecular-mechanics based molecular dynamics simulationsHardikar, R. P ; Mondal, Unmesh ; Thakkar, Foram M ; Roy, Sudip ; Ghosh, PrasenjitPhysical chemistry chemical physics : PCCP, 2019-11, Vol.21 (44), p.24345-24353 [Periódico revisado por pares]Cambridge: Royal Society of ChemistryTexto completo disponível |
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9 |
Material Type: Artigo
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Hydrogel Adhesion: A Supramolecular Synergy of Chemistry, Topology, and MechanicsYang, Jiawei ; Bai, Ruobing ; Chen, Baohong ; Suo, ZhigangAdvanced functional materials, 2020-01, Vol.30 (2), p.n/a [Periódico revisado por pares]Hoboken: Wiley Subscription Services, IncTexto completo disponível |
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10 |
Material Type: Artigo
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Metal Ion Modeling Using Classical MechanicsLi, PengfeiChemical reviews, 2017-02, Vol.117 (3), p.1564-1686 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |