Journal Article10.1021/CR020689L
Dynamics of water in biological recognition.
Samir Kumar Pal,Ahmed H. Zewail +1 more
768
TL;DR: Almost all biological macromoleculess proteins and DNAs are inactive in the absence of water, and the role of hydration in enzyme catalysis is well known and has recently been reviewed in a number of publications.
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Abstract: Almost all biological macromoleculess proteins
(enzymes) and DNAs are inactive in the absence of
water. Hydration of a protein/enzyme is particularly
important for the stability of the structure and for
the function, especially the recognition at a specific
site. This role of hydration in enzyme catalysis is well
known and has recently been reviewed in a number
of publications. In one of these studies it was
shown that the dehydration of a protein, which
makes it more rigid and increases its denaturation
temperature, is correlated with the loss of its physiological function.
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Citations
Water mediation in protein folding and molecular recognition
Yaakov Levy,José N. Onuchic +1 more
TL;DR: Focusing on water sheds light on the physics and function of biological machinery and self-assembly and may advance the understanding of the natural design of proteins and nucleic acids.
A unified model of protein dynamics.
Hans Frauenfelder,Guo Chen,Joel Berendzen,Paul W. Fenimore,Helén Jansson,Benjamin H. McMahon,Izabela Stroe,Jan Swenson,Robert D. Young +8 more
TL;DR: It is shown here that the dominant conformational motions are slaved by the hydration shell and the bulk solvent, and the model quantitatively predicts the rapid increase of the mean-square displacement above ≈200 K and explains the nonexponential time dependence of the protein relaxation after photodissociation.
Mechanisms for DNA Charge Transport
TL;DR: Some of the critical characteristics of DNA charge transport chemistry are reviewed, taking examples from a range of systems, and consider these characteristics in the context of their mechanistic implications.
761
Water Dynamics in the Hydration Shells of Biomolecules
TL;DR: Progress in theory and molecular dynamics simulations as well as in ultrafast vibrational spectroscopy has led to new and detailed insight into fluctuations of water structure, elementary water motions, electric fields at hydrated biointerfaces, and processes of vibrational relaxation and energy dissipation.
718
Dissecting the THz spectrum of liquid water from first principles via correlations in time and space.
Matthias Heyden,Jian Sun,Stefan Funkner,Gerald Mathias,Gerald Mathias,Harald Forbert,Martina Havenith,Dominik Marx +7 more
TL;DR: This result provides a molecular mechanism explaining the experimentally determined sensitivity of absorption changes in the THz domain in terms of distinct, solute-induced dynamical properties in solvation shells of (bio)molecules—even in the absence of well-defined resonances.
450
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