Conference Agenda

Overview and details of the sessions of this conference. Please select a date or location to show only sessions at that day or location. Please select a single session for detailed view (with abstracts and downloads if available).

Please note that all times are shown in the time zone of the conference. The current conference time is: 6th Dec 2022, 01:26:45am CET

 
 
Session Overview
Session
Poster - 01 Bioinformatics: Structural bioinformatics
Time:
Sunday, 15/Aug/2021:
5:10pm - 6:10pm

Session Chair: Jiri Cerny
Session Chair: Bohdan Schneider
Session Chair: Janusz Marek Bujnicki

 


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Presentations

Poster session abstracts

Radomír Kužel



Exploiting new generation ab initio and homology models from databases for MR

Adam J Simpkin1, Jens M H Thomas1, Ronan M Keegan2, Daniel J Rigden1

1Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB, England; 2STFC, Rutherford Appleton Laboratory, Research Complex at Harwell, Didcot OX11 0FA, England



The analysis of CH-π interaction in protein–carbohydrate binding

Josef Houser1,2, Stanislav Kozmon1,3, Deepti Mishra1, Zuzana Hammerova2, Michaela Wimmerova1,2,4, Jaroslav Koca1,2

1Central European Institute of Technology, Masaryk University, Kamenice 5, 625 00 Brno, Czech Republic; 2National Centre for Biomolecular Research, Masaryk University, Kamenice 5, 625 00 Brno, Czech Republic; 3Institute of Chemistry, Slovak Academy of Sciences, Dubravska cesta 9, 845 38 Bratislava, Slovak Republic; 4Department of Biochemistry, Faculty of Science, Masaryk University, Kotlarska 2, 611 37 Brno, Czech Republic



On the role of CO…CO interactions in the classification of beta-turns.

Consiglia Tedesco, Nancy D'Arminio, Valentina Ruggiero, Giovanni Pierri, Anna Marabotti

University of Salerno, Fisciano, Italy



Structural Characterization of missense mutation identified in BRCA2 using Comparative Biophysical and Dynamics Studies

Mudassar Ali Khan1,2, Mohd. Quadir Siddiqui3, Ashok K Varma1,2

1Advanced Centre for Treatment Research and Education in Cancer, Kharghar, Navi Mumbai, India; 2Homi Bhabha National Institute, Mumbai, India; 3Alberta RNA Research and Training Institute, Department of Chemistry and Biochemistry, University of Lethbridge, 4401 University Drive, Lethbridge, AB T1K 3M4, Canada



De novo detection of symmetry in cryo-EM density maps

Michal Tykač1, Jiří Černý1, Garib N. Murshudov2

1Czech Academy of Sciences, Prague, Czech Republic; 2MRC Laboratory of Molecular Biology



PISACov: Expanding jsPISA with evolutionary covariance data to better determine protein quaternary state from a crystal structure

José Javier Burgos-Mármol1, Ronan M. Keegan2, Eugene Krissinel2, Daniel J. Rigden1

1ISMIB, University of Liverpool, Liverpool, United Kingdom; 2UKRI-STFC, Rutherford Appleton Laboratory, Didcot, United Kingdom



PDBe-KB: a community-driven resource for structural and functional annotations

Mihaly Varadi, PDBe-KB Consortium

EMBL-EBI, Hinxton, United Kingdom



EvoDock: Optimization of protein-ligand binding interfaces

Maximilian Edich1, Marcel Friedrichs2

1University of Hamburg; 2Bielefeld University



Effects of mutations in the NMDA receptor GluN1 subunit on binding and dynamics: a computational approach

Zheng Chen1,2, W. Bret Church1, Karine Bastard1, Anthony P. Duff3, Thomas Balle1,2

1Sydney Pharmacy School, Faculty of Medicine and Health, The University of Sydney, NSW 2006, Australia; 2Brain and Mind Centre, The University of Sydney, Camperdown, NSW 2050, Australia; 3Australian Nuclear Science and Technology Organisation, New Illawarra Road, Lucas Heights, NSW 2234, Australia



Base pairs and their higher order structures

Małgorzata Cabaj, Paulina Dominiak

Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Poland



The rotag library: generating protein structure-specific side-chain rotamer libraries

Algirdas Grybauskas, Saulius Gražulis

Vilnius University Life Sciences Center, Saulėtekio al. 7, 10257 Vilnius, Lithuania



Patterson positivity combined with statistical matching can estimate unobserved intensities

Anders Kadziola

University of Copenhagen, Copenhagen, Denmark



How the point mutation of NPC1 can affect the cholesterol transport efficiency : Molecular dynamics study

HYEJIN YOON1, Soonmin Jang2, Hyunah Jeong2, Hyung Ho Lee1

1Seoul National University, Seoul, Korea, Republic of (South Korea); 2Sejong University, Seoul, Korea, Republic of (South Korea)



Modeling large protein structures as graphs for automated analysis of their topology

Jan Niclas Wolf, Mariella Zunker, Jörg Ackermann, Ina Koch

Molecular Bioinformatics, Goethe-University, Frankfurt am Main, Germany



Investigation of Furin inhibition to block SARS-CoV-2 spike protein cleavage and Structural stability via molecular docking and molecular dynamics simulations

Jaganathan Ramakrishnan, Archana Chinnamadhu, Kumaradhas Poomani

Laboratory of Biocystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem-636 011, India.



The first hydration layer around biomolecules is site-specific

Lada Biedermannová, Bohdan Schneider

Institute of Biotechnology, Vestec near Prague, Czech Republic



Probing Protein Structures in Solution by Molecular Dynamics Simulation and Small-Angle X-ray Scattering

Hsiao-Ching Yang1, Shang-Wei Lin1, Yung-Chi Ge1, Ming-Yi Huang1, Cheng-Han Yang1, Wei-Min Liu1, Anthony P. Duff2, Chun-Ming Wu3, Yi-Kang Lan4, An-Chung Su4, Yi-Qi Yeh3, U-Ser Jeng3,4, Pi-Tai Chou5

1Department of Chemistry, Fu Jen Catholic University, Xinzhuang 24205, Taiwan; 2National Deuteration Facility, Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234, Australia; 3National Synchrotron Radiation Research Center, Hsinchu Science Park, Hsinchu 30076, Taiwan; 4Department of Chemical Engineering, National Tsing Hua University, Hsinchu 30013, Taiwan; 5Department of Chemistry, National Taiwan University, Taipei City 10617, Taiwan



 
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