A protein structure is modeled as a chain molecule with a fixed bond length connecting particles approximating the effects of amino acid residues. The potentials derived in this study are used for conformational sampling of trypsin inhibitor from bovine pancreas. Sampling is done with the Monte ...
Intrinsically disordered proteins (IDPs) are ensembles of interconverting conformers whose conformational properties are governed by several physico-chemical factors, including their amino acid composition and the arrangement of oppositely charged residues within the primary structure. In this work, we inves...
Since the binding residue is not isolated from each other, we have the convention that 11 vicinal amino acid residues as a window (𝑤=11w=11), where the window specifically indicates the target residue and 5 neighbors on either side of the target residue itself. In light of this ...
Since the binding residue is not isolated from each other, we have the convention that 11 vicinal amino acid residues as a window (w = 11), where the window specifically indicates the target residue and 5 neighbors on either side of the target residue itself. In light of this definition, ...