3 ms·
In terms of docking, you can call the conventional approaches "physically-based", however, they are rather poor physical models. Namely, they lack proper electr
by slashdave 2y ago
In terms of docking, you can call the conventional approaches "physically-based", however, they are rather poor physical models. Namely, they lack proper electrostatics, and, most importantly, basically ignore entropic contributions. There is no reason for concern.