A long standing problem in structural bioinformatics is to determine the three-dimensional (3-
D) structure of a protein when only a sequence of amino acid residues is given. Many …

In an era that has been dominated by Structural Biology for the last 30-40 years, a dramatic
change of focus towards sequence analysis has spurred the advent of the genome projects …

We describe here an energy based computer software suite for narrowing down the search
space of tertiary structures of small globular proteins. The protocol comprises eight different …

Quality assessment of predicted model structures of proteins is as important as the protein
tertiary structure prediction. A highly efficient quality assessment of predicted model …

We report here a computationally fast protocol for predicting binding affinities of non-metallo
protein–ligand complexes. The protocol builds in an all atom energy based empirical …

Background The advent of human genome sequencing project has led to a spurt in the
number of protein sequences in the databanks. Success of structure based drug discovery …

We report on a systematic investigation of molecular conjugation of tumor necrosis factor-α
(TNF) protein onto gold nanoparticles (AuNPs) and the subsequent binding behavior to its …

Physicochemical properties of proteins always guide to determine the quality of the protein
structure, therefore it has been rigorously used to distinguish native or native-like structure …

Sequence to structure of proteins is an unsolved problem. A possible coarse grained
resolution to this entails specification of all the torsional (Φ, Ψ) angles along the backbone of …

Folding of naturally occurring proteins has eluded a universal molecular level explanation till
date. Rather, there is an abundance of diverse views on dominant factors governing protein …