The identification of interactions between drugs/compounds and their targets is crucial for
the development of new drugs. In vitro screening experiments (ie bioassays) are frequently …

Drug discovery and development affects various aspects of human health and dramatically
impacts the pharmaceutical market. However, investments in a new drug often go …

INTRODUCTION The eukaryotic nucleus protects the genome and is enclosed by the two
membranes of the nuclear envelope. Nuclear pore complexes (NPCs) perforate the nuclear …

Abstract The SARS-CoV-2 nucleocapsid (N) protein is an abundant RNA-binding protein
critical for viral genome packaging, yet the molecular details that underlie this process are …

SPARKY (Goddard and Kneller, SPARKY 3) remains the most popular software program for
NMR data analysis, despite the fact that development of the package by its originators …

Comparative protein structure modeling predicts the three‐dimensional structure of a given
protein sequence (target) based primarily on its alignment to one or more proteins of known …

Determining the structure and function of a novel protein is a cornerstone of many aspects of
modern biology. Over the past decades, a number of computational tools for structure …

Functional characterization of a protein sequence is one of the most frequent problems in
biology. This task is usually facilitated by accurate three‐dimensional (3‐D) structure of the …

The ability to predict local structural features of a protein from the primary sequence is of
paramount importance for unraveling its function in absence of experimental structural …

The perpetuation of inflammation is an important pathophysiological contributor to the global
medical burden. Chronic inflammation is promoted by non-programmed cell death,; …