Naga Bhushana Rao Karampudi

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Questions related from Naga Bhushana Rao Karampudi

How can I integrate two different force fields using Tleap Ambertools 14?

I want to work with Intrinsically disordered protein and its complexes (also a protein). In this complex I would like to use ff99SBildn for IDP and ff14SB for its partner protein. What I did is...

16 December 2014 2,204 4 View

Given the theta for symmetry matrix on protein chains in PDB, How can we identify the symmetry fold like 2 fold or 3 fold etc.,?

I am working with virus coat protein PDB ID: 1HRI which has 60 symmetry matrices. I have calculated the theta (angle of rotation) and rotation per axis also for every matrix, Now from these theta...

14 November 2014 5,486 1 View