ADL: the need for some theoretical background

maria timoshik m.timoshik at yandex.ru
Tue Mar 29 09:12:26 PDT 2016


Hello, Vina developers:
please advise a good textbook with the fundamental principles of how protein-ligand interactions could be described in physicochemical equations, what are the approximations to express them using numerical approaches etc. 
Also, I still would like to learn about Kolleman and Gasteiger's charges;
with which experimental data may I compare docking results etc.

thanks


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