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Protein structure prediction is a way to bridge the sequence-structure gap, one of the main
challenges in computational biology and chemistry. Predicting any protein's accurate …

The refinement and validation of a crystallographic structure model is the last step before the
coordinates and the associated data are submitted to the Protein Data Bank (PDB). The …

Abstract The Protein Data Bank (PDB) is the world-wide repository of macromolecular
structure information. We present a series of databases that run parallel to the PDB. Each …

Ramachandran plots report the distribution of the (ϕ, ψ) torsion angles of the protein
backbone and are one of the best quality metrics of experimental structure models. Typically …

This research aimed to compare and characterize the physicochemical properties and
interaction mechanism of zein and anthocyanins (ACNs) from experimental and theoretical …

We present a CPU efficient protocol for refinement of protein structures in a thin layer of
explicit solvent and energy parameters with completely revised dihedral angle terms. Our …

The present work investigates the influence of electrostatic surface potential distribution of
monoclonal antibodies (MAbs) on intermolecular interactions and viscosity. Electrostatic …

Abstract Glycogen synthase kinase-3 (GSK-3) is associated with various key biological
processes, including glucose regulation, apoptosis, protein synthesis, cell signaling, cellular …

MOTIVATION: Homology modeling is rapidly becoming the method of choice for obtaining
three-dimensional coordinates for proteins because genome projects produce sequences at …