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... An approach to the hybrid quantum mechanical and molecular mechanical (QM/MM) theory based on the effective fragment potential (EFP) technique (M. Gordon and co-authors) for modeling properties and reactivity of large molecular systems of biochemical significance is being developed. Currently we are preparing a novel version of the computer program based on the most recent variant of the PC GAMESS quantum chemistry package (A. A. Granovsky) and the TINKER molecular modeling package (J. Ponder). ...

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Lomonosov Moscow State University . ... Academic Programs . ... International Cooperation . ... Symbols of the Faculty . ... Academic Life . Academic Departments Programs . ... Bulletin of Moscow University . ... Admission for International Students . ... Student Life . ... Faculty of Foreign Languages and Area Studies Lomonosov Moscow State University: . 119192, Russia, Moscow, Lomonosov Str., ... 2000 - 2016 Faculty of Foreign Languages and Area Studies Lomonosov Moscow State University . ...

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tppRENUM: 0.6.2 . tppMkTOP: 0.6.2 . Program allows you to renumber and rename atoms in your molecule in a nice way. Load PDB file for renumbering: . ... We strongly recommend you to read detailed description of TPPmktop functioning in TPPmktop description on ERG site . Please ensure, that your PDB file was made correctly. ... Load PDB file for making all-atom OPLS topology: . TPPRENUM runs: . TPPMKTOP runs: . ...

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