Conformational preferences of the substrates of lactate dehydrogenase.
| dc.contributor.author | Schmidt, Rebecca | |
| dc.contributor.author | Gready, Jill | |
| dc.date.accessioned | 2015-12-08T22:41:57Z | |
| dc.date.issued | 2000 | |
| dc.date.updated | 2015-12-08T10:31:44Z | |
| dc.description.abstract | The substrates of lactate dehydrogenase (pyruvate and lactate) as well as an inhibitor (oxamate) are characterized using ab initio methods employing the basis sets 6-31 +G(d) and 6-31 +G(d, p) at both RHF and MP2 levels. The first aim of these studies is | |
| dc.identifier.issn | 0022-2860 | |
| dc.identifier.uri | http://hdl.handle.net/1885/36875 | |
| dc.publisher | Elsevier | |
| dc.source | Journal of Molecular Structure | |
| dc.subject | Keywords: carbon; carbonyl derivative; carboxyl group; lactate dehydrogenase; lactic acid; methyl group; oxamic acid; oxygen; pyruvic acid; accuracy; article; calculation; chemical structure; controlled study; crystal structure; energy; enthalpy; enzyme active site Ab initio; Conformer; Lactate; Lactate dehydrogenase; Oxamate; Pyruvate; Semiempirical | |
| dc.title | Conformational preferences of the substrates of lactate dehydrogenase. | |
| dc.type | Journal article | |
| local.bibliographicCitation.lastpage | 112 | |
| local.bibliographicCitation.startpage | 101 | |
| local.contributor.affiliation | Schmidt, Rebecca, College of Medicine, Biology and Environment, ANU | |
| local.contributor.affiliation | Gready, Jill, College of Medicine, Biology and Environment, ANU | |
| local.contributor.authoruid | Schmidt, Rebecca, u9604481 | |
| local.contributor.authoruid | Gready, Jill, u9508375 | |
| local.description.embargo | 2037-12-31 | |
| local.description.notes | Imported from ARIES | |
| local.description.refereed | Yes | |
| local.identifier.absfor | 030499 - Medicinal and Biomolecular Chemistry not elsewhere classified | |
| local.identifier.absfor | 030701 - Quantum Chemistry | |
| local.identifier.ariespublication | MigratedxPub142 | |
| local.identifier.citationvolume | 498 | |
| local.identifier.doi | 10.1016/S0166-1280(99)00252-3 | |
| local.identifier.scopusID | 2-s2.0-0034723984 | |
| local.type.status | Published Version |
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