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Atlas of Protein Hydration

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F86652036%3A_____%2F14%3A00452202" target="_blank" >RIV/86652036:_____/14:00452202 - isvavai.cz</a>

  • Result on the web

    <a href="http://www.dnatco.org/atlas" target="_blank" >http://www.dnatco.org/atlas</a>

  • DOI - Digital Object Identifier

Alternative languages

  • Result language

    angličtina

  • Original language name

    Atlas of Protein Hydration

  • Original language description

    The website provides information on the hydration of amino acid residues in different conformational states in X-ray crystal structures and their visualization in a Jmol applet. The positions and probabilities of the hydration sites were derived from theanalysis of of a non-redundant set of 2818 high resolution protein crystal structures from the Protein Data Bank, as described in Biedermannova et al, Acta Cryst. D 2015. For each hydration site the interaction energy was also calculated at the level ofDFT-D (RI-TPSS/TZVP augmented with empirical dispersion term) with the solvation effects described using COSMO.

  • Czech name

  • Czech description

Classification

  • Type

    R - Software

  • CEP classification

    BO - Biophysics

  • OECD FORD branch

Result continuities

  • Project

    Result was created during the realization of more than one project. More information in the Projects tab.

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2014

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Internal product ID

    webatlas_hydratace

  • Technical parameters

    website, html, css, javascript, JSmol applet

  • Economical parameters

    typový projekt

  • Owner IČO

    86652036

  • Owner name

    Biotechnologický ústav AV ČR, v. v. i.