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GAUK 174615

Name: 
Adaptive virtual screening
Start year: 
2015
End year: 
2017

Biological screening is used to detect the ability of small molecules to trigger a response in a macromolecular target by binding to it. The main disadvantage of physical screening is its price and the need to own the tested molecules. An alternative to the physicial screening is its in-silico variant - virtual screening (VS). VS commonly takes place in the early stages of drug discovery as a molecular filter before physical screening.

Investigators
Investigator: 
petr.skoda
Investigator role: 
Principal investigator
Investigator: 
jan.jelinek
Investigator role: 
Co-Investigator
Investigator: 
radoslav.krivak
Investigator role: 
Co-Investigator

Improving protein-ligand binding site prediction accuracy by classification of inner pocket points using local features

Authors: 
Radoslav Krivák, David Hoksza
Indexed by WOS: 
Indexed by WOS
Indexed by SCOPUS: 
Indexed by SCOPUS
Type: 
Journal
State: 
Published
Language: 
EN
Conference/Journal name: 
Journal of Cheminformatics
Publisher: 
Chemistry Central
Year: 
2015
Volume: 
7
Issue: 
1
ISSN: 
1758-2946

Target-Oriented Generic Fingerprint-Based Molecular Representation

Authors: 
Petr Škoda, David Hoksza
Indexed by WOS: 
Not indexed by WOS
Indexed by SCOPUS: 
Not indexed by SCOPUS
Type: 
Proceedings
State: 
Published
Language: 
EN
Conference/Journal name: 
CSEIT
Publisher: 
Computer Science & Information Technology (CS & IT)
Year: 
2014
ISSN: 
2231-5403

GAČR 15-00885S

Name: 
Novel methods for computational prediction and visualization of secondary structures of ribosomal ribonucleic acids - an integrated solution
Start year: 
2015
End year: 
2017
Ribosomal ribonucleic acid (rRNA) is essential for the proteins synthesis, one of the most basic biological processes. To understand its mechanisms, the knowledge of the rRNA structure is required as it forms the structural core of the protein synthesizing unit, the ribosome. Experimental identification of rRNA structure is extremely technically difficult. Secondary structure, a simplified structural model, can be predicted, but prediction for rRNAs is hindered by extreme length of rRNA sequences. Thus, only few eukaryotic rRNA structures are available so far.
Investigators
Investigator: 
david.hoksza
Investigator role: 
Co-Investigator

GAČR 15-08916S

Name: 
Efficient subgraph discovery for petabyte-scale web analysis
Start year: 
2015
End year: 
2017

The study of network behaviors without packet content inspection is becoming of increasing concern in context of network administration and security. Recent years observe an increasing demand for machine learning algorithms on graphs, since modeling interactions between entities by graphs is natural in context of large computer networks. A promising approach to modeling graphs that leverages the advantages of machine learning techniques is based on the so-called ``graphlets'', that provide embedding of graph fragments into vector spaces.

Investigators
Investigator: 
jakub.lokoc
Investigator role: 
Principal investigator
Investigator: 
tomas.skopal
Investigator role: 
Team member
Investigator: 
premek.cech
Investigator role: 
Team member

Data visualization

Invited talk at the RMIT University in Melbourne, Australia

Date: 
26.11.2014

Juraj Moško has presented an invited talk about Real-time exploration of multimedia collection at the RMIT University in Melbourne, Australia. Presentation slides are here.

Invited talk at the Klagenfurt University

Date: 
20.11.2014

RNDr. Jakub Lokoč Ph.D. has presented an invited talk about efficient similarity search using models based on feature signatures at the Klagenfurt University in Austria.

Jan Jelínek

Name: 
Jan
Surname: 
Jelínek
Homepage: 
http://siret.ms.mff.cuni.cz/members/jelinek
Research interests: 
  • structural bioinformatics
  • protein-protein interactions
Type of member: 
Student
State: 
Active

Towards Efficient Multimedia Exploration Using The Metric Space Approach

Authors: 
J. Lokoč, T. Grošup, P. Čech, T. Skopal
Indexed by WOS: 
Not indexed by WOS
Indexed by SCOPUS: 
Indexed by SCOPUS
Type: 
Proceedings
State: 
Published
Language: 
EN
Conference/Journal name: 
12th International Workshop on Content-Based Multimedia Indexing (CBMI)
Publisher: 
IEEE
Year: 
2014
Pages: 
1-4
ISBN: 
978-1-4799-3990-9
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