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| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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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 [Peer Reviewed Journal]United States: American Chemical SocietyFull text available |
| 2 |
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DNA origami nano-mechanicsJi, Jiahao ; Karna, Deepak ; Mao, HanbinChemical Society reviews, 2021-11, Vol.5 (21), p.11966-11978 [Peer Reviewed Journal]England: Royal Society of ChemistryFull text available |
| 3 |
Material Type: Article
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A quantum mechanics and molecular mechanics study of bis-thiosemicarbazones with strong antiplasmodial properties as Fe()-selective chelators and inhibitors of hemozoin formationNkungli, Nyiang Kennet ; Aponglen, Godfred Ayimele ; Tasheh, Stanley Numbonui ; Hassan, Abrar Ul ; Ghogomu, Julius NumbonuiNew journal of chemistry, 2024-03, Vol.48 (13), p.5636-5648 [Peer Reviewed Journal]Cambridge: Royal Society of ChemistryFull text available |
| 4 |
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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 [Peer Reviewed Journal]5 Abbey Square, Chester, Cheshire CH1 2HU, England: International Union of CrystallographyFull text available |
| 5 |
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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 [Peer Reviewed Journal]London: Elsevier LtdFull text available |
| 6 |
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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 [Peer Reviewed Journal]Elsevier LtdFull text available |
| 7 |
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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 [Peer Reviewed Journal]Weinheim: Wiley Subscription Services, IncFull text available |
| 8 |
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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 [Peer Reviewed Journal]United States: American Chemical SocietyFull text available |
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Data-Driven multiscale modeling in mechanicsKarapiperis, K. ; Stainier, L. ; Ortiz, M. ; Andrade, J.E.Journal of the mechanics and physics of solids, 2021-02, Vol.147, p.104239, Article 104239 [Peer Reviewed Journal]London: Elsevier LtdFull text available |
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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 [Peer Reviewed Journal]Cambridge: Royal Society of ChemistryFull text available |
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