By focusing on essential features, while averaging over less important details, coarse-
grained (CG) models provide significant computational and conceptual advantages with …

The realization that experimentally observed functional motions of proteins can be predicted
by coarse-grained normal mode analysis has renewed interest in applications to structural …

Normal mode analysis (NMA) in internal (dihedral) coordinates naturally reproduces the
collective functional motions of biological macromolecules. iMODS facilitates the exploration …

We developed a Python package, ProDy, for structure-based analysis of protein dynamics.
ProDy allows for quantitative characterization of structural variations in heterogeneous …

It has long been recognized that knowledge of the 3D structures of proteins has the potential
to accelerate drug discovery, but recent developments in genome sequencing, robotics and …

This article gives an overview of recent progress in protein-protein docking and it identifies
several directions for future research. Recent results from the CAPRI blind docking …

Abstract SARS Coronavirus-2 (SARS-CoV-2) pandemic has become a global issue which
has raised the concern of scientific community to design and discover a counter-measure …

Wordom is a versatile, user‐friendly, and efficient program for manipulation and analysis of
molecular structures and dynamics. The following new analysis modules have been added …

Background Monkeypox virus is an enveloped DNA virus that belongs to Poxviridae family.
The virus is transmitted from rodents to primates via infected body fluids, skin lesions, and …

Ebola virus is a highly pathogenic RNA virus that causes the Ebola haemorrhagic fever in
human. This virus is considered as one of the dangerous viruses in the world with very high …