Detailed Information on Publication Record
2020
Exploring Protein Folding Space with Neural Network Guided Simulations
KŘENEK, Aleš, Jana HOZZOVÁ, Jaroslav OĽHA, Dalibor TRAPL, Vojtěch SPIWOK et. al.Basic information
Original name
Exploring Protein Folding Space with Neural Network Guided Simulations
Name in Czech
Prohledávání prostoru foldování proteinů simulacemí řízenými neuronovou sítí
Authors
KŘENEK, Aleš (203 Czech Republic, guarantor, belonging to the institution), Jana HOZZOVÁ (703 Slovakia, belonging to the institution), Jaroslav OĽHA (703 Slovakia, belonging to the institution), Dalibor TRAPL and Vojtěch SPIWOK
Edition
Brusel, MODELLING AND SIMULATION 2020, p. 305-309, 5 pp. 2020
Publisher
EUROSIS-ETI
Other information
Language
English
Type of outcome
Stať ve sborníku
Field of Study
10201 Computer sciences, information science, bioinformatics
Country of publisher
Belgium
Confidentiality degree
není předmětem státního či obchodního tajemství
Publication form
printed version "print"
References:
RIV identification code
RIV/00216224:14610/20:00114384
Organization unit
Institute of Computer Science
ISBN
978-94-92859-12-9
Keywords in English
metadyamic; protein folding; netural network
Tags
Tags
International impact, Reviewed
Změněno: 29/4/2021 10:58, Mgr. Alena Mokrá
Abstract
V originále
We introduce a novel computationally feasible method of exploring protein folding spaces, while working with- out any a priori knowledge of the space, hence over- coming a drawback of previous methods. Since our ap- proach uses random landmark structures without any guarantee of chemical or biological meaning, we use neu- ral networks to extract meaningful features to guide the simulation. The method is described in detail, and its implementation is publicly available. We demonstrate the feasibility of this approach by accelerating the fold- ing of the Trp-Cage miniprotein 20 times.
Links
| GA19-16857S, research and development project |
| ||
| MUNI/A/1050/2019, interní kód MU |
|