Microbes utilize enzymes to perform a variety of functions. Enzymes are biocatalysts working
as highly efficient machines at the molecular level. In the past, enzymes have been viewed …

Cyclophilin A (CypA) is a cytosolic binding protein of the immunosuppressive drug
cyclosporin A. CypA has an activity of peptidylprolyl cis-trans isomerase, which may play …

A long-standing challenge is to understand at the atomic level how protein dynamics
contribute to enzyme catalysis. X-ray crystallography can provide snapshots of …

Certain histocompatibility leukocyte antigen (HLA) alleles are associated with improved
clinical outcomes for individuals infected with human immunodeficiency virus type 1 (HIV-1) …

An integrated view of protein structure, dynamics, and function is emerging, where proteins
are considered as dynamically active assemblies and internal motions are closely linked to …

Even after a century of investigation, our understanding of how enzymes work remains far
from complete. In particular, several factors that enable enzymes to achieve high catalytic …

Proteins are intrinsically flexible molecules. The role of internal motions in a protein's
designated function is widely debated. The role of protein structure in enzyme catalysis is …

Since convergent evolution of enzyme active sites was first identified in serine proteases,
other individual instances of this phenomenon have been documented. However, a …

How enzymes achieve their enormous rate enhancements remains a central question in
biology, and our understanding to date has impacted drug development, influenced enzyme …

A growing body of evidence suggests a connection between protein dynamics and
enzymatic catalysis. In this paper, we present a variety of computational studies designed to …