Solvent accessible surface area (SASA) of proteins has always been considered as a
decisive factor in protein folding and stability studies. It is defined as the surface …

Abstract CHARMM-GUI, http://www. charmm-gui. org, is a web-based graphical user
interface to prepare molecular simulation systems and input files to facilitate the usage of …

Background Many newly detected point mutations are located in protein-coding regions of
the human genome. Knowledge of their effects on the protein's 3D structure provides insight …

We present a series of databanks (http://swift. cmbi. ru. nl/gv/facilities/) that hold information
that is computationally derived from Protein Data Bank (PDB) entries and that might …

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 …

In this study, we used an integrative computational approach to examine molecular
mechanisms and determine functional signatures underlying the role of functional residues …

Structural and biochemical studies of the severe acute respiratory syndrome (SARS)-CoV-2
spike glycoproteins and complexes with highly potent antibodies have revealed multiple …

The rapidly growing body of structural and biochemical studies of the SARS-CoV-2 spike
glycoprotein has revealed a variety of distinct functional states with radically different …

Recent studies have pointed the role of angiotensin-converting enzyme-II (ACE2) in
mediating the entry of SARS-CoV-2 to the host cell by binding to the receptor-binding …

Evolutionary and functional studies suggested that the emergence of the Omicron variants
can be determined by multiple fitness trade-offs including the immune escape, binding …