XXV General Assembly and Congress of the
International Union of Crystallography - IUCr 2021
August 14 - 22, 2021 | Prague, Czech Republic
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: 26th Apr 2024, 05:13:17am CEST
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Session Overview |
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Poster - 01 Bioinformatics: Structural bioinformatics
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ID: 1928
/ Poster - 01 Bioinformatics: 1
Poster session abstracts Poster Poster session abstracts ID: 1390
/ Poster - 01 Bioinformatics: 2
Biological and macromolecular crystallography Oral/poster MS: Structural bioinformatics, Structural bioinformatics Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: Molecular Replacement, Ab initio, MrParse, AlphaFold2 Exploiting new generation ab initio and homology models from databases for MR 1Institute of Integrative Biology, University of Liverpool, Liverpool L69 7ZB, England; 2STFC, Rutherford Appleton Laboratory, Research Complex at Harwell, Didcot OX11 0FA, England External Resource:
 ID: 989
/ Poster - 01 Bioinformatics: 4
Biological and macromolecular crystallography Oral/poster MS: Structural bioinformatics, Structural bioinformatics Keywords: CH-π interaction, protein-carbohydrate binding, bioinformatics, aromatic amino acids The analysis of CH-π interaction in protein–carbohydrate binding 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 External Resource:
ID: 1297
/ Poster - 01 Bioinformatics: 5
Biological and macromolecular crystallography Oral/poster MS: Structural bioinformatics Keywords: Beta-turns, peptides, peptoids, CO...CO interactions On the role of CO…CO interactions in the classification of beta-turns. University of Salerno, Fisciano, Italy External Resource:
ID: 742
/ Poster - 01 Bioinformatics: 6
Bursary application Oral/poster MS: Structural bioinformatics, Structural biology of receptors, signaling and membrane proteins Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: BRCA2, Brest cancer predisposing mutations, Biophysics, Molecular Dynamics Simulations Structural Characterization of missense mutation identified in BRCA2 using Comparative Biophysical and Dynamics Studies 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 Bibliography
1. Structural and functional assessment of mutations identified in different breast cancer genes, Neha Mishra, Mudassar Ali Khan, Ekaterina S. Kuligina, Syed Hasan and Ashok K. Varma, Conference: Proceedings: AACR Annual Meeting 2020; April 27-28, 2020 and June 22-24, 2020; Philadelphia, PA DOI: 10.1158/1538-7445.AM2020-5457 2. Structural characterization of BRCA2 functional domain, M. A. Khan, P. Panda, M. .Q. Siddiqui, S. K. Hasan and A. K. Varma December 2017 Acta Crystallographica Section A: Foundations and Advances 73(a2):C1449-C1449 DOI: 10.1107/S205327331708127X 3. Studies of protein-protein interactions in Fanconi anemia pathway to unravel the DNA interstrand crosslink repair mechanism, Mohd Qadir Siddiqui, Yogendra S. Rajpurohit, Pankaj S. Thapa, Ganesh Kumar Maurya, Kuheli Banerjee, Mudassar Ali Khan, Pragnya Panda, Syed K. Hasan, Nikhil Gadewal, Hari S. Misra, Ashok K. Varma, International Journal of Biological Macromolecules, DOI: 10.1016/j.ijbiomac.2017.05.166 4. Ribosomal protein P2 localizes to the parasite zoite-surface and is a target for invasion inhibitory antibodies in Toxoplasma gondii and Plasmodium falciparum, Rajagopal Sudarsan, Reshma Korde Chopra, Mudassar Ali Khan, and Shobhona Sharma, Parasitology International, https://doi.org/10.1016/j.parint.2014.08.006 External Resource:
ID: 1290
/ Poster - 01 Bioinformatics: 7
Methods and instruments Oral/poster MS: Validation of cryoEM structures and maps, Recent advances in electron crystallography techniques Keywords: Symmetry, Cryo-EM De novo detection of symmetry in cryo-EM density maps 1Czech Academy of Sciences, Prague, Czech Republic; 2MRC Laboratory of Molecular Biology External Resource:
ID: 823
/ Poster - 01 Bioinformatics: 8
Theory, computation, modelling, data, standards Oral/poster MS: Crystal structure prediction, Structural bioinformatics Keywords: Evolutionary covariance; Contact prediction; Structural bioinformatics; Macromolecular interfaces; Quaternary structure PISACov: Expanding jsPISA with evolutionary covariance data to better determine protein quaternary state from a crystal structure 1ISMIB, University of Liverpool, Liverpool, United Kingdom; 2UKRI-STFC, Rutherford Appleton Laboratory, Didcot, United Kingdom External Resource:
ID: 911
/ Poster - 01 Bioinformatics: 9
Theory, computation, modelling, data, standards Oral/poster MS: Structural bioinformatics Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: structural annotations, knowledge base PDBe-KB: a community-driven resource for structural and functional annotations EMBL-EBI, Hinxton, United Kingdom External Resource:
ID: 831
/ Poster - 01 Bioinformatics: 10
Theory, computation, modelling, data, standards Oral/poster MS: Structural bioinformatics Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics), General (if it does not fit to any specific topics nor areas) Keywords: protein engineering, evolutionary algorithms, molecular modeling, Rosetta, structural bioinformatics EvoDock: Optimization of protein-ligand binding interfaces 1University of Hamburg; 2Bielefeld University External Resource:
ID: 1600
/ Poster - 01 Bioinformatics: 11
Poster sessions Poster Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics), Structural bioinformatics Keywords: protein-ligand complexes, receptors, molecular dynamics, ligand binding, mutant receptors Effects of mutations in the NMDA receptor GluN1 subunit on binding and dynamics: a computational approach 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 External Resource:
ID: 1568
/ Poster - 01 Bioinformatics: 12
Poster sessions Poster Posters only: Structural bioinformatics Keywords: nucleobase, base pair Base pairs and their higher order structures Biological and Chemical Research Centre, Department of Chemistry, University of Warsaw, Poland External Resource:
ID: 1596
/ Poster - 01 Bioinformatics: 13
Theory, computation, modelling, data, standards Poster MS: Structural bioinformatics Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: IUCr2020, abstracts, rotamer, side-chain The rotag library: generating protein structure-specific side-chain rotamer libraries Vilnius University Life Sciences Center, Saulėtekio al. 7, 10257 Vilnius, Lithuania External Resource:
ID: 1525
/ Poster - 01 Bioinformatics: 14
Biological and macromolecular crystallography Poster MS: Structural bioinformatics Posters only: Macromolecular and biological crystallography (if it does not fit to any specific topics) Keywords: IUCr2021; incomplete data; Patterson positivity; histogram; scaling Patterson positivity combined with statistical matching can estimate unobserved intensities University of Copenhagen, Copenhagen, Denmark ID: 1416
/ Poster - 01 Bioinformatics: 15
Theory, computation, modelling, data, standards Poster MS: Structural bioinformatics Posters only: General (if it does not fit to any specific topics nor areas) Keywords: Molecular dynamics simulation, Niemann-Pick disease type C (NPC) disease How the point mutation of NPC1 can affect the cholesterol transport efficiency : Molecular dynamics study 1Seoul National University, Seoul, Korea, Republic of (South Korea); 2Sejong University, Seoul, Korea, Republic of (South Korea) External Resource:
ID: 1585
/ Poster - 01 Bioinformatics: 16
Poster sessions Poster Posters only: Structural bioinformatics Keywords: protein topology, graph theory, large structures; structural bioinformatics Modeling large protein structures as graphs for automated analysis of their topology Molecular Bioinformatics, Goethe-University, Frankfurt am Main, Germany External Resource:
ID: 728
/ Poster - 01 Bioinformatics: 17
Bursary application Oral/poster MS: Structural bioinformatics, Structural biology of receptors, signaling and membrane proteins, Structural biology of enzymes, mechanism and regulation, Structural bioinformatics, Structural biology against coronavirus/covid-19 Keywords: SARS-CoV-2, Furin; Repurposed drugs, Molecular docking, Molecular dynamics. Investigation of Furin inhibition to block SARS-CoV-2 spike protein cleavage and Structural stability via molecular docking and molecular dynamics simulations Laboratory of Biocystallography and Computational Molecular Biology, Department of Physics, Periyar University, Salem-636 011, India. Bibliography
1.Jaganathan Ramakrishnan, Saravanan Kandasamy, Ancy Iruthayaraj, Sivanandam Magudeeswaran, Kalaiarasi Chinnasamy & Kumaradhas Poomani (2021) Strong Binding of Leupeptin with TMPRSS2 Protease May Be an Alternative to Camostat and Nafamostat for SARS-CoV-2 Repurposed Drug : Evaluation from Molecular Docking and Molecular Dynamics Simulations. Applied Biochemistry and Biotechnology. External Resource:
ID: 1823
/ Poster - 01 Bioinformatics: 18
Biological and macromolecular crystallography Poster MS: Structural bioinformatics Keywords: hydration, data mining, crystallography, proteins, nucleic acids The first hydration layer around biomolecules is site-specific Institute of Biotechnology, Vestec near Prague, Czech Republic External Resource:
ID: 1861
/ Poster - 01 Bioinformatics: 19
Theory, computation, modelling, data, standards Poster MS: Structural bioinformatics Posters only: Theory, computation, modeling, data, standards (if it does not fit to any specific topics) Keywords: Cytochrome P450, substrate channel, molecular dynamics simulation, small-to-medium-angle X-ray scattering, neutron contrast variation scattering Probing Protein Structures in Solution by Molecular Dynamics Simulation and Small-Angle X-ray Scattering 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 External Resource:
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