title: QM/MM study on the reaction mechanism of O6-alkylguanine-DNA alkyltransferase.
authors.affiliation: Key Lab of Colloid and Interface Chemistry, Ministry of Education, School of Chemistry and Chemical Engineering, Shandong University, Jinan, Shandong 250100, China.
authors.forename: Qianqian
authors.initials: Q
authors.lastname: Hou
authors.forename: Likai
authors.initials: L
authors.lastname: Du
authors.forename: Jun
authors.initials: J
authors.lastname: Gao
authors.forename: Yongjun
authors.initials: Y
authors.lastname: Liu
authors.forename: Chengbu
authors.initials: C
authors.lastname: Liu
mesh_terms: D020134:Catalytic Domain; D003198:Computer Simulation; D004260:DNA Repair; D006801:Humans; D008958:Models, Molecular; D008962:Models, Theoretical; D015394:Molecular Structure; D019853:O(6)-Methylguanine-DNA Methyltransferase / Q000737:chemistry* / Q000378:metabolism*; D011487:Protein Conformation; D011522:Protons; D011789:Quantum Theory
chemical_list: D011522:Protons; D019853:O(6)-Methylguanine-DNA Methyltransferase