The Relationship between Binding Models of TMA with Furan and Imidazole and the Molecular Electrostatic Potentials: DFT and MP2 Computational Studies
نویسندگان
چکیده
Center for Drug DiscoVery & Design and State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Shanghai Institutes for Biological Sciences, Chinese Academy of Sciences, 294 Taiyuan Road, Shanghai 200031, P. R. China, Chemical Process & Biotechnology Department, Singapore Polytechnic, 500 DoVer Road, Singapore 139651, Department of Structural Biology, Weizmann Institute of Science, 76100 RehoVot, Israel, and Department of Neurobiology, Weizmann Institute of Science, 76100 RehoVot, Israel
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