Statistical potentials that embody torsion angle probability densities in databases of high‐
quality X‐ray protein structures supplement the incomplete structural information of …

Abstract Structure determination of proteins by NMR is unique in its ability to measure
restraints, very accurately, in environments and under conditions that closely mimic those …

Nuclear magnetic resonance (NMR) spectroscopy is one of the leading biophysical methods
used in the search for and design of physiologically active compounds considered as …

While antifolates such as Bactrim (trimethoprim-sulfamethoxazole; TMP-SMX) continue to
play an important role in treating community-acquired methicillin-resistant Staphylococcus …

Protein motions play a fundamental role in enzyme catalysis and ligand binding. The
relationship between protein motion and function has been extensively investigated in the …

Natural products (NPs) have diverse biological activity and significant medicinal value. The
structural diversity of NPs is the mainstay of drug discovery. Expanding the chemical space …

Drug discovery processes require the determination of the protein binding site structure,
which can be achieved via nuclear magnetic resonance (NMR) spectroscopy. While …

Klebsiella pneumoniae strain DF12SA (HQ114261) was isolated from diabetic foot wounds.
The strain showed resistance against ampicillin, kanamycin, gentamicin, streptomycin …

The effects of chemotherapeutic agent vinblastine versus low temperature of 277 K were
investigated on the structure of αβ‐tubulin heterodimer by means of molecular dynamics …

Dihydrofolate reductase (DHFR) from Escherichia coli (EcDHFR) adopts two major
conformations, closed and occluded, and movement between these two conformations is …