The B-form of DNA can populate two different backbone conformations: BI and BII, defined
by the difference between the torsion angles ε and ζ (BI = ε–ζ < 0 and BII = ε–ζ > 0). BI is the …

Globally, collapse of ecosystems—potentially irreversible change to ecosystem structure,
composition and function—imperils biodiversity, human health and well‐being. We examine …

Molecular dynamics simulations are well established for the study of biomolecular systems.
Within these simulations, energy functions known as force fields are used to determine the …

Inter-spin distances between 1nm and 4.5nm are measured by continuous wave (CW) and
pulsed electron paramagnetic resonance (EPR) methods for a series of nitroxide-spin-…

Protein–protein interactions are at the heart of regulatory and signaling processes in the cell.
In many interactions, one or both proteins are disordered before association. However, this …

Lennard-Jones (LJ) parameters for a variety of model compounds have previously been
optimized within the CHARMM Drude polarizable force field to reproduce accurately pure liquid …

A polarizable force field for nucleic acid bases based on the classical Drude oscillator
model is presented. Parameter optimization was performed to reproduce crystallographic …

Statistical analysis of structures from the PBD has been used to examine the role that the
aromatic amino acids play in protein–nucleic acid recognition. In protein–DNA complexes, the …

Intrinsically disordered proteins ( IDP s) are a class of protein that, in the native state, possess
no well‐defined secondary or tertiary structure, existing instead as dynamic ensembles of …

Introducing a new or extirpated species to an ecosystem is risky, and managers need quantitative
methods that can predict the consequences for the recipient ecosystem. Proponents of …