Quantum mechanical calculations on biological systems
Open Access
- 1 April 1998
- journal article
- review article
- Published by Elsevier in Current Opinion in Structural Biology
- Vol. 8 (2) , 257-262
- https://doi.org/10.1016/s0959-440x(98)80048-1
Abstract
No abstract availableKeywords
This publication has 58 references indexed in Scilit:
- A Theoretical Examination of the Factors Controlling the Catalytic Efficiency of a Transmethylation Enzyme: Catechol O-MethyltransferaseJournal of the American Chemical Society, 1997
- Anab InitioComputational Molecular Orbital Study of Radical, Protonated Radical (Radical Cation), and Carbocation Species That Have Been Proposed in Mechanisms for the Transfer Process in the Enzyme−Coenzyme B12-Catalyzed Dehydration of 1,2-DihydroxyethaneJournal of the American Chemical Society, 1997
- Ab Initio Calculations on Neutral and Alkaline Hydrolyses of β-Lactam Antibiotics. A Theoretical Study Including Solvent EffectsThe Journal of Physical Chemistry B, 1997
- Conformational analysis of carbonic anhydrase inhibitors using ab initio molecular orbital methods. 1. Rotational isomerism in methane sulfonamide anion, CH 3 -SO 2 -NH −Theoretical Chemistry Accounts, 1997
- On the Dehalogenation Mechanism of 4-Chlorobenzoyl CoA by 4-Chlorobenzoyl CoA Dehalogenase: Insights from Study Based on the Nonenzymatic ReactionJournal of the American Chemical Society, 1997
- A Conformational Study of 2-Oxanol: Insight into the Role of Ring Distortion on Enzyme-Catalyzed Glycosidic Bond CleavageJournal of the American Chemical Society, 1997
- Role of Active Site Tyrosine in Glutathione S-Transferase: Insights from a Theoretical Study on Model SystemsJournal of the American Chemical Society, 1997
- Conformational and solvation aspects of the chorismate–prephenate rearrangement studied by ab initio electronic structure and simulation methodsJournal of the Chemical Society, Perkin Transactions 2, 1997
- Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidaseJournal of Computer-Aided Molecular Design, 1997
- Triosephosphate isomerase (TIM)-catalysed proton abstraction from carbon acid: an analysis on the origin of the catalytic activityChemical Communications, 1996