Found: 11
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Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.
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- Journal of Computer-Aided Molecular Design, 2018, v. 32, n. 5, p. 607, doi. 10.1007/s10822-018-0114-1
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- Article
Do Dynamic Effects Play a Significant Role in Enzymatic Catalysis? A Theoretical Analysis of Formate Dehydrogenase.
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- Chemistry - A European Journal, 2010, v. 16, n. 37, p. 11399, doi. 10.1002/chem.201000635
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- Article
Exploring the Mechanism of the Intramolecular Diels–Alder Reaction of (2 E ,4 Z ,6 Z)-2(allyloxy)cycloocta-2,4,6-trien-1-one Using Bonding Evolution Theory.
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- Molecules, 2023, v. 28, n. 19, p. 6755, doi. 10.3390/molecules28196755
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- Article
Enzyme catalysis: Transition structures and quantum dynamical aspects: Modeling rubisco's oxygenation and carboxylation mechanisms.
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- International Journal of Quantum Chemistry, 2002, v. 88, n. 1, p. 154, doi. 10.1002/qua.10116
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- Article
Understanding the mechanism of the addition of organomagnesium reagents to 2-hydroxypropanal: An ab initio molecular orbital analysis.
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- International Journal of Quantum Chemistry, 1997, v. 65, n. 5, p. 719, doi. 10.1002/(SICI)1097-461X(1997)65:5<719::AID-QUA38>3.0.CO;2-U
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- Article
Understanding the acylation mechanisms of active-site serine penicillin-recognizing proteins: A molecular dynamics simulation study.
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- Proteins, 2003, v. 53, n. 1, p. 88, doi. 10.1002/prot.10450
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- Article
A bonding evolution theory study of the reaction between methylidyne radical, CH(X<sup>2</sup>Π), and cyclopentadiene, C<sub>5</sub>H<sub>6</sub>.
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- International Journal of Quantum Chemistry, 2022, v. 122, n. 11, p. 1, doi. 10.1002/qua.26892
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- Article
How effectively bonding evolution theory retrieves and visualizes curly arrows: The cycloaddition reaction of cyclic nitrones.
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- International Journal of Quantum Chemistry, 2019, v. 119, n. 19, p. N.PAG, doi. 10.1002/qua.25985
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- Article
Spinning of protein fibres from blue squat lobster ( Cervimunida jhoni) industry by-products.
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- International Journal of Food Science & Technology, 2007, v. 42, n. 6, p. 640, doi. 10.1111/j.1365-2621.2006.01322.x
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- Article
Electronic structure and rearrangements of anionic [ClMg(η-OC)] and [ClMg(η-CO)] complexes: a quantum chemical topology study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 4, p. 1, doi. 10.1007/s00214-017-2082-2
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- Article
Deciphering the Molecular Mechanism of Intramolecular Reactions from the Perspective of Bonding Evolution Theory.
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- Physchem, 2022, v. 2, n. 3, p. 207, doi. 10.3390/physchem2030015
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- Article