Antibodies recognize their target with high affinity and specificity. This is important for
pathogen neutralization, which plays a crucial role in defense against disease. Antibodies …

In this narrative review, we comprehensively review the available information about the
recognition, structure, and dynamics of antimicrobial peptides (AMPs). Their complex …

Macromolecular liquids display short-time anomalous behaviors in disagreement with
conventional single-molecule mean-field theories. In this study, we analyze the behavior of …

Structural information of protein complexes is fundamental for the rational drug design and
improvement of vaccines and biosensors. Also, protein misassembly can have severe …

Molecular Dynamics (MD) simulations of proteins implicitly contain the information
connecting the atomistic molecular structure and proteins' biologically relevant motion …

Local fluctuations are important for protein binding and molecular recognition because they
provide conformational states that can be trapped through a selection mechanism of …

We investigate the universal scaling of protein fluctuation dynamics with a site-specific
diffusive model of protein motion, which predicts an initial subdiffusive regime in the …

The biological function and folding mechanisms of proteins are often guided by large-scale
slow motions, which involve crossing high energy barriers. In a simulation trajectory, these …

The review covers the progress in the field of NMR relaxation in fluids primarily during 2019.
Since the topic is returning to this volume SPR after a break of a few years, some highlights …

This chapter summarizes the coarse-graining (CG) approach that is called the Integral
Equation Coarse-Grained (IECG) model. In most CG models, which are numerically solved …