J. T. Olsztyn
ABSTRACT
In part I of this paper, it was explained that DYANA is a program which performs the following functions:
1. On the basis of an input language, determines the structure of a dynamic system.
2. Prepares a mathematical model of that dynamic system.
3. Prepares a FORTRAN program which, in turn, is able to numerically solve the mathematical model.
Recommendations
Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex
Display Omitted Dynamic pharmacophore models of caspase-3-isatin sulfonamide complex.Rigorous validation using focused library of caspase-3 actives and inactives.Selection of pharmacophore hypotheses securing both sensitivity and specificity >0.6.Study ...
An investigation of molecular dynamics simulation and molecular docking: Interaction of citrus flavonoids and bovine β-lactoglobulin in focus
Citrus flavonoids are natural compounds with important health benefits. The study of their interaction with a transport protein, such as bovine @b-lactoglobulin (BLG), at the atomic level could be a valuable factor to control their transport to ...
Comments