Vikas Dubey

3 Questions 12 Answers 0 Followers

Questions related from Vikas Dubey

Best way to model missing residues of crystal structure ?

Hi everyone, I am working with a protein whose first ~20 residues are missing. Experiment evidence suggest that these residues are crucial. So, Intend to model them. However, with so many server...

04 September 2017 5,317 5 View

How volume remains constant in NVT ?

Hi, I have some background in MD simulations and I am aware of thermostats and barostats. General NVT simulation run parameter file contains only thermostat related information. So, how...

14 September 2016 7,772 4 View

Wrong values in the case of decoupling Alanine from water in Coarse-Grained simulations?

Hi, I am using martini force field and Coarse-Grained simulations to calculate the salvation energy of alanine in water in the form of decoupling. I have previously followed Justin Lemkul's...

03 July 2015 2,427 1 View