Поиск синтетических антикоагулянтов ингибиторов сериновых протеаз: сочетание in silico и in vitro методов

The aim of this study was to presents a model-based approach based on the integration of computational theory (in silico-experiments) and experiments performed (in vitro) to search, optimization and development of new anticoagulants molecules with affinity to the family of serine proteases. The authors gratefully acknowledges to Novartis AG for assistance in the in vitro experiments in the framework of the program “Novartis in-kind collaborations”, as well as the personal gratitude for their researchers and biologists Ulrich Hassiepen and Gabriela Monnet.