Abstract We describe a Bayesian/Maximum entropy (BME) procedure and software to
construct a conformational ensemble of a biomolecular system by integrating molecular …

Solving structures or structural ensembles of large macromolecular systems in solution
poses a challenging problem. While NMR provides structural information at atomic …

The essential involvement of water in most fundamental extra‐cellular and intracellular
processes of proteins is critically reviewed and evaluated in this article. The role of water in …

Understanding the function of a protein requires not only knowledge of its tertiary structure
but also an understanding of its conformational dynamics. Nuclear magnetic resonance …

Structural biology is built on the axiom that understanding biomolecular processes in detail
requires explicit knowledge of the atomic-level structure of the macromolecules involved …

The structure-function paradigm is increasingly replaced by the structure-dynamics-function
paradigm. All protein activity is steered by the interplay between enthalpy and entropy …

Abstract AlkB homolog 5 (Alkbh5) is one of nine members of the AlkB family, which are
nonheme Fe 2+/α-ketoglutarate-dependent dioxygenases that catalyze the oxidative …

There are over 100 computational predictors of intrinsic disorder. These methods predict
amino acid‐level propensities for disorder directly from protein sequences. The propensities …

Large-scale interdomain rearrangements are essential to protein function, governing the
activity of large enzymes and molecular machineries. Yet, obtaining an atomic-resolution …

Many proteins display complex dynamical properties that are often intimately linked to their
biological functions. As the native state of a protein is best described as an ensemble of …