Zeki Zeybek

3 Questions 3 Answers 0 Followers

Questions related from Zeki Zeybek

How to decide periodicity and phase shift angle from torsinal scan graph obtained via QM calculation ? (Force Field Parameter Development for CHARMM)

I am trying to parameterize a small organic molecule namely L(+)Lactate and I am having problems with the dihedral fitting procedure. I have 360 degree of torsional scan for each dihedral angle in...

03 March 2017 6,854 2 View

Can one observe or more accurately infer meaningful results from MD-Simulation of Protein-Protein Interaction ?

What I wonder is that assuming I have two proteins namely protein-A, protein-B and protein A is somehow modified by protein B (simply an enzyme catalyzing the addition of -OH group to certain...

01 January 2017 3,549 4 View

How can I self study Statistical Mechanics and have a deep level of understanding on the matter both conceptually as well as mathematically ?

What I mean by this question is that I am very interested in the field of Theoretical Biophysics and Computational Chemistry specifically modeling of physical and biological systems (current MD...

01 January 2017 2,594 6 View