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Volumn 300-302, Issue , 2000, Pages 545-555

Molecular mechanics studies of coenzyme B12 complexes with constrained Co-N(axial-base) bond lengths: Introduction of the universal force field (UFF) to coenzyme B12 chemistry and its use to probe the plausibility of an axial-base-induced, ground-state corrin butterfly conformational steric effect

(3) Sirovatka, Jeanne M a Rappé, Anthony K a Finke, Richard G a

a Veterinary Dentistry and Oral Surgery (United States)

Author keywords

Adenosylcobalamin; Adenosylcobinamide; Cobalamin structures; Coenzyme B12 complexes; Molecular mechanics studies; N methylimidazole; Universal force field

Indexed keywords

ACCELERATION; AMINO ACIDS; COENZYMES; CONFORMATIONS; GROUND STATE; MOLECULAR MECHANICS;

ADENOSYLCOBALAMIN; ADENOSYLCOBINAMIDE; CONFORMATION EFFECTS; CONFORMATIONAL EFFECT; N-METHYLIMIDAZOLE; UFF MOLECULAR MECHANICS; UNIVERSAL FORCE FIELDS; X RAY CRYSTAL STRUCTURES;

BOND LENGTH;

COBALT; COBAMAMIDE; CYSTEINE; IMIDAZOLE DERIVATIVE; NITROGEN; SULFUR;

ARTICLE; CHEMICAL BINDING; COMPLEX FORMATION; CONFORMATIONAL TRANSITION; CRYSTAL STRUCTURE; FORCE; INORGANIC CHEMISTRY; MOLECULAR DYNAMICS; MOLECULAR MODEL; STEREOCHEMISTRY;

EID: 0034732490 PISSN: 00201693 EISSN: None Source Type: Journal
DOI: 10.1016/S0020-1693(00)00025-6 Document Type: Article

Times cited : (39)

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