First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine. | J Comput Chem;26(10): 980-6, 2005 Jul 30. | MEDLINE

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First-principle studies of intermolecular and intramolecular catalysis of protonated cocaine.

Zhan, Chang-Guo; Deng, Shi-Xian; Skiba, Jaime G; Hayes, Beth A; Tschampel, Sarah M; Shields, George C; Landry, Donald W.

Affiliation

Zhan CG; Division of Clinical Pharmacology and Experimental Therapeutics, College of Physicians & Surgeons, Columbia University, 630 West 168th Street, New York, New York 10032, USA. zhan@uky.edu

J Comput Chem ; 26(10): 980-6, 2005 Jul 30.

Article in En | MEDLINE | ID: mdl-15880781

Subject(s)

Antibodies, Catalytic/chemistry; Cocaine/chemistry; Catalysis; Hydrolysis; Molecular Conformation; Molecular Structure; Thermodynamics

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Full text: 1 Database: MEDLINE Main subject: Cocaine / Antibodies, Catalytic Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2005 Type: Article Affiliation country: United States

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Full text: 1 Database: MEDLINE Main subject: Cocaine / Antibodies, Catalytic Language: En Journal: J Comput Chem Journal subject: QUIMICA Year: 2005 Type: Article Affiliation country: United States