Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Dmitry Nikolaevich Tarasov"'
Autor:
Natalia A Tserkovnikova, Dmitry Gennadievich Tovbin, Dmitry Nikolaevich Tarasov, Natalia N Drozd, Arseniy V. Aybush, Dmitry V Malakhov
Publikováno v:
Current drug discovery technologies. 19(1)
Background: Despite the introduction of direct oral anticoagulants, the search for new oral anticoagulants remains an urgent task. Objective: By using docking and scoring, based on physical methods, simple chemical rules, methods of synthesis, and ac
Publikováno v:
Journal of molecular modeling. 15(3)
To estimate how sophisticated should an empirical scoring function be to ensure successful docking, scoring and virtual screening a new scoring function NScore (naive score) has been developed and tested. NScore is an extremely simple function and ha
Publikováno v:
Journal of computational chemistry. 29(2)
The interaction between particles in a system containing fractal clusters has been computationally simulated. The fractal structure of the system has been demonstrated to determine the kinetic characteristics of particle interaction. If a system in a