{"headerData":{"lastRefreshDate":"06 Jul 2026"},"publicationOverview":{"publication":{"id":"E7C23832-F66B-4733-98B4-867A78CCC5A7","resourceUrl":"http://gtr.ukri.org/api/publication/overview?outcomeid=5e67f8c7d87291.25520016&projectref=#grantRef#","outcomeId":"5e67f8c7d87291.25520016","title":"Computational enzymology: modelling the mechanisms of biological catalysts.","parentPublicationTitle":"Biochemical Society transactions","authors":[{"id":"d100cdc139a76b4405afb654a4ee30c3","resourceUrl":"http://gtr.ukri.org/api/person/d100cdc139a76b4405afb654a4ee30c3","firstName":null,"otherNames":"Mulholland AJ","surname":null,"email":null,"orcidId":null,"displayName":"Mulholland AJ","fullName":"Mulholland AJ"}],"date":1199145600000,"digitalPublicationUrl":"http://dx.doi.org/10.1042/bst0360022","pubMedId":"18208378","pubMedUrl":"http://ukpmc.ac.uk/abstract/MED/18208378","isbn":null,"issn":"0300-5127","publicationUrl":"http://europepmc.org/abstract/MED/18208378","abstractText":null,"volume":"36","issue":"Pt 1","totalPages":null,"edition":null,"chapterNumber":null,"chapterTitle":null,"pageRef":null,"series":null,"type":"Journal Article/Review","firstAuthorName":"Mulholland AJ","grantRef":null},"projects":[{"id":"A71E4D00-0690-4953-B6C5-A2068055B480","resourceUrl":"http://gtr.ukri.org/projects?ref=EP/E022197/1","title":"Combined quantum mechanics/molecular mechanics (QM/MM) Monte Carlo free energy simulations: a feasibility study","status":null,"grantReference":"EP/E022197/1","grantCategory":"Research Grant","abstractText":null,"potentialImpactText":null,"fund":{"valuePounds":59359,"start":null,"end":null,"funder":{"id":"798CB33D-C79E-4578-83F2-72606407192C","resourceUrl":"http://gtr.ukri.org/api/organisation/798CB33D-C79E-4578-83F2-72606407192C","name":"EPSRC"},"type":"INCOME_ACTUAL"},"output":null,"publications":null,"identifiers":null,"technicalSummary":null,"projectHierarchy":null,"studentshipHierarchy":null,"healthCategories":[],"researchActivities":[],"researchSubjects":[],"researchTopics":[],"rcukProgrammes":[],"hasClassifications":false}],"abstractSnippet":null}}