О лаборатории . ... Лаборатория теоретической биофизики . ... Here orig1 is the starting value of internal coordinate and zero corresponds to this value in current geometry. disp1 means step of scanning (degrees for angles and Angstroms for bonds). ndisp1 points number of steps in PES scan. vect1 ? ... Нет комментариев " Scanning PES ab initio and in MM " . ... OPLS-AA patch for different types of molecules . ... Scanning PES ab initio and in MM . ... 2015 ERG Research Group . ...
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Ссылки http://mccmb.belozersky.msu.ru/2015/proceedings/abstracts/179.pdf -- 100.4 Кб -- 15.06.2015 Похожие документы
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