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Article

QM/MM modeling the Ras-GAP catalyzed hydrolysis of guanosine triphosphate.

Proteins - 15 Aug 2005

Grigorenko Bella L, Nemukhin Alexander V, Topol Igor A, Cachau Raul E, Burt Stanley K

Abstract excerpt

The mechanism of the hydrolysis reaction of guanosine triphosphate (GTP) by the protein complex Ras-GAP (p21(ras) - p120(GAP)) has been modeled by the quantum mechanical-molecular mechanical (QM/MM) and ab initio quantum calculations. Initial geometry configurations have been prompted by atomic c...

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PMID: 15906320
DOI: 10.1002/prot.20472

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 4 Sept 2026. Prepared record publication-15906320-2026-09-04.2. Manifest publication-graph-cohort-2026-09-04.2.

Source receipt: PubMed via Helena Literature Corpus, retrieved 4 Sept 2026.

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