Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies

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dc.contributor.authorDuangkamol Gleeson
dc.contributor.authorBen Tehan
dc.contributor.authorM. Paul Gleeson
dc.contributor.authorJumras Limtrakul
dc.date.accessioned2025-07-21T05:52:36Z
dc.date.issued2012-01-01
dc.identifier.doi10.1039/c2ob25657f
dc.identifier.urihttps://dspace.kmitl.ac.th/handle/123456789/3281
dc.subjectQM/MM
dc.subject.classificationCrystallography and molecular interactions
dc.titleEvaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies
dc.typeArticle

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