The new method of distribution integrals evaluations for high throughput virtual screening
Olexandr Ya Yakovenko, Alexander A. Oliferenko, Andriy G. Golub, Volodymyr G. Bdzhola, Sergiy M Yarmoluk · 2007
Summary. A new method of estimating the binding affinity of small organic compounds bound to biological targets is developed. The method incorporates the explicit evaluation of entropy loss for both internal and rota�