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Alexey V. Sulimov,Danil C. Kutov,Anna S. Taschilova,Ivan S. Ilin,Nadezhda V. Stolpovskaya,Khidmet S. Shikhaliev,Vladimir B. Sulimov
Two stages virtual screening of a database containing several thousand low molecular weight organic compounds is performed with the goal to find inhibitors of SARS-CoV-2 main protease. Overall near 41000 different 3D molecular structures have been genera...
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Bruno González-Soria, Francisco Delgado and Alan Anaya-Morales
Developments in ultrafast-spectroscopy techniques have revealed notably long-lived quantum coherence between electronic states in Fenna?Matthews?Olson complex bacteriochlorophylls, a group of molecules setting a nanoscale structure responsible of the coh...
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Rafael Lahoz-Beltra
Genetic algorithms (GAs) are a class of evolutionary algorithms inspired by Darwinian natural selection. They are popular heuristic optimisation methods based on simulated genetic mechanisms, i.e., mutation, crossover, etc. and population dynamical proce...
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