Dynamic personalities of proteins

By K. Henzler-Wildman, Dorothee Kern. 2007

2,399 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology

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Citations in the corpus

State-specific protein–ligand complex structure prediction with a multiscale deep generative model (2022, neutral): “Protein structures are dynamically modulated by small molecules such as ligands and posttranslational modifications 13–16 ; such dynamical conformational changes can trigger diverse downstream responses that are crucial to the regulation of biological functions and with far-reaching implications…”
Improving structure-based function prediction using molecular dynamics (2009, background): “While performing their functions, molecules undergo dynamic structural changes, which can range from subtle side-chain rearrangements to large-scale domain movements (Henzler-Wildman and Kern, 2007).”
Dynamic-Backbone Protein-Ligand Structure Prediction with Multiscale Generative Diffusion Models (2022, background): “Protein structures are dynamically modulated by their interactions with small-molecule ligands, triggering downstream responses that are crucial to the regulation of biological functions [1–3].”
Binding of Small-Molecule Ligands to Proteins: “What You See” Is Not Always “What You Get” (2009, positive): “Multiple conformers are also seen in host-guest binding (Chang and Gilson, 2004; Chen et al., 2004) and can be critical for protein mechanisms such as enzyme catalytic motions (Eisenmesser et al., 2005; Arora and Brooks, 2007; Henzler-Wildman et al., 2007; Henzler-Wildman and Kern, 2007).”
The effects of temperature on aerobic metabolism: towards a mechanistic understanding of the responses of ectotherms to a changing environment (2015, background): “…reversibly or irreversibly denatured), recent evidence from biophysics suggests that proteins occur as a population of molecules with a large number of conformations, termed microstates that may differ in catalytic activity or substrate binding (Henzler-Wildman and Kern, 2007; Wrabl et al., 2011).”
Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods (2016, background): “For example, X-ray-diffraction data contain information not only about the enthalpic contribution (intermolecular noncovalent interactions) but also about some entropic contribution (spatial distribution around the average structure as reflected by the B-factors) [21,55]; NMR methods have the advant”
Integrating protein structural dynamics and evolutionary analysis with Bio3D (2014, background): “Background The internal motions and intrinsic dynamics of proteins have increasingly been recognized as essential for protein function and activity [1,2].”
Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations (2017, background): “The time scales of protein dynamics 123,124 suggest that a multinanosecond MD protocol can adequately sample local conformational deformations, water equilibration (when not buried), many protein side-chain motions, and at least some higher-energy transitions (loop motions and high-barrier rotamer…”
Stochastic mechano-chemical kinetics of molecular motors: A multidisciplinary enterprise from a physicist’s perspective (2012, background): “In general, the conformational dynamics of proteins [133] span a wide range of length and time scales- from a fraction of nanometer to tens of nanometers and from femtoseconds to seconds, or even longer [314].”
Structural insights into the dynamic process of β2-adrenergic receptor signaling (2015, positive): “Proteins display a range of motions associated with function, from pico- to nanosecond timescale amino acid side-chain reorientations to inter-domain motions that may happen on the millisecond to second timescale (Baldwin and Kay, 2009; Henzler-Wildman and Kern, 2007; Sekhar and Kay, 2013).”