Dinesh Kumar Sriramulu

7 Questions 11 Answers 0 Followers

Questions related from Dinesh Kumar Sriramulu

Why only potential energy is being used to calculate the free binding energy in case of LIE method in gromacs?

I have little knowledge that the potential energy is based on the force field being used while kinetic energy is not. but I am not quite convinced that this is the only reason why it the K.E. is...

08 August 2018 6,351 0 View

How to calculate the torsional angle between the protein and the ligand in a protein-ligand complex?

well i m looking forward for suggestions on the criteria for selecting atoms for angle calculations between a protein and a ligand.. any suggestions would be helpful.

10 October 2017 9,932 5 View

Is der any relation between the binding energy and the catalytic activity of the enzyme

say an enzyme and substrate is docked via any software and the binding energy is obtained. will this binding energy be related to the catalytic activity of the enzyme??

06 June 2017 2,480 0 View

How can a structure influence enzyme activity?

i am looking forward to get different opinions on how a structure can play a major role in influencing the activity of enzyme

05 May 2017 5,101 14 View

What are the main problems in the computational modeling of enzyme reaction?

i m looking for issues in the biological background but the articles i had to refer where only in the modeling process. need help!

04 April 2017 8,581 0 View

Where can I find the solution book for Thermodynamics and Statistical Mechanics: An Integrated Approach by M. Scott Shell?

i am looking for solving certain problems so it will be highly helpful

03 March 2017 2,220 0 View

How to implement different data mining techniques on gene expression datasets?

i am working in gene expression data sets related to alzheimer's disease. now i have identified, the DEG's. as an extension, i also want to implement data mining techniques as a part of my work....

12 December 2016 6,586 3 View