Atlas of Protein Hydration

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

—

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

—

Type

R - Software

CEP classification

BO - Biophysics

OECD FORD branch

—

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

Publication year

2014

Confidentiality

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

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.