Year 2021

• Computational Selectivity Assessment of Protease Inhibitors against SARS-CoV-2

  Publication

  • A. Fischer
  • M. Sellner
  • K. Mitusińska
  • M. Bzówka
  • M. Lill
  • A. Góra
  • M. Smieško

  - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES - Year 2021

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Year 2020

• Applications of water molecules for analysis of macromolecule properties

  Publication

  • K. Mitusińska
  • A. Raczyńska
  • M. Bzówka
  • W. Bagrowska
  • A. Góra

  - Computational and Structural Biotechnology Journal - Year 2020

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• AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective

  Publication

  • T. Magdziarz
  • K. Mitusińska
  • M. Bzówka
  • A. Raczyńska
  • A. Stańczak
  • M. Banas
  • W. Bagrowska
  • A. Góra

  - BIOINFORMATICS - Year 2020

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• Novel Potential Binding Sites for Selective Inhibitor Design of Human Soluble Epoxide Hydrolase

  Publication

  • M. Bzówka
  • K. Mitusińska
  • A. Góra

  - Year 2020

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• Proteins Structure Models in the Evaluation of Novel Variant (C.472_477del) in the MOCS2 Gene

  Publication

  • A. Jezela-Stanek
  • W. Blaz
  • A. Gora
  • M. Bochenska
  • K. Kusmierska
  • J. Sykut-Cegielska
  • A. Góra

  - Diagnostics - Year 2020

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• Simple Selection Procedure to Distinguish between Static and Flexible Loops

  Publication

  • K. Mitusińska
  • T. Skalski
  • A. Góra

  - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES - Year 2020

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• Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design

  Publication

  • M. Bzówka
  • K. Mitusińska
  • A. Raczyńska
  • A. Samol
  • J. Tuszyński
  • A. Góra

  - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES - Year 2020

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• Structural and Evolutionary Analysis Indicate that the SARS-CoV-2 Mpro is an Inconvenient Target for Small-Molecule Inhibitors Design

  Publication

  • M. Bzówka
  • K. Mitusińska
  • A. Raczyńska
  • A. Samol
  • J. Tuszyński
  • A. Góra

  - Year 2020

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• Structure–bioavailability relationship study of genistein derivatives with antiproliferative activity on human cancer cell

  Publication

  • K. Papaj
  • A. Kasprzycka
  • A. Góra
  • A. Grajoszek
  • G. Rzepecka
  • J. Stojko
  • J. Barski
  • W. Szeja
  • A. Rusin

  - JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS - Year 2020

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Year 2019

• Distant Non-Obvious Mutations Influence the Activity of a Hyperthermophilic Pyrococcus furiosus Phosphoglucose Isomerase

  Publication

  • K. Subramanian
  • K. Mitusińska
  • J. Raedts
  • F. Almourfi
  • H. Joosten
  • S. Hendriks
  • S. Sedelnikova
  • S. Kengen
  • W. Hagen
  • A. Góra... and 4 others

  - Biomolecules - Year 2019

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Year 2018

• BALCONY: an R package for MSA and functional compartments of protein variability analysis

  Publication

  • A. Płuciennik
  • M. Stolarczyk
  • M. Bzówka
  • A. Raczyńska
  • T. Magdziarz
  • A. Góra

  - BMC BIOINFORMATICS - Year 2018

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• Evolution of functionally important compartments of proteins – what can we learn from studying epoxide hydrolases?

  Publication

  • M. Bzówka
  • T. Magdziarz
  • K. Mitusinska
  • A. Stanczak
  • A. Raczynska
  • A. Góra
  • A. Góra

  - New Biotechnology - Year 2018

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• Exploring Solanum tuberosum Epoxide Hydrolase Internal Architecture by Water Molecules Tracking

  Publication

  • K. Mitusińska
  • T. Magdziarz
  • M. Bzówka
  • A. Stańczak
  • A. Gora
  • A. Góra

  - Biomolecules - Year 2018

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• Hot spot identification by ligand-protein surface interactions mapping – in silico study

  Publication

  • A. Stanczak
  • T. Magdziarz
  • A. Raczynska
  • A. Góra
  • A. Góra

  - New Biotechnology - Year 2018

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• Modulating D-amino acid oxidase (DAAO) substrate specificity through facilitated solvent access

  Publication

  • K. Subramanian
  • A. Góra
  • R. Spruijt
  • K. Mitusińska
  • M. Suarez-Diez
  • V. Martins
  • P. Schaap

  - PLOS ONE - Year 2018

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• Structure and function of natural proteins for water transport: general discussion

  Publication

  • M. Baaden
  • M. Barboiu
  • R. Bill
  • S. Casanova
  • C. Chen
  • M. Conner
  • V. Freger
  • B. Gong
  • A. Góra
  • B. Hinds... and 11 others

  - FARADAY DISCUSSIONS - Year 2018

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• The modelling and enhancement of water hydrodynamics: general discussion

  Publication

  • M. Baaden
  • M. Borthakur
  • S. Casanova
  • R. Coalson
  • V. Freger
  • M. Gonzalez
  • A. Góra
  • B. Hinds
  • W. Hirunpinyopas
  • G. Hummer... and 8 others

  - FARADAY DISCUSSIONS - Year 2018

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• Water tracing as an alternative method for tunnels exploration in macromolecules

  Publication

  • A. Raczynska
  • T. Magdziarz
  • K. Mitusinska
  • A. Góra
  • A. Góra

  - New Biotechnology - Year 2018

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Year 2017

• AQUA-DUCT: a ligands tracking tool

  Publication

  • T. Magdziarz
  • K. Mitusińska
  • S. Gołdowska
  • A. Płuciennik
  • M. Stolarczyk
  • M. Ługowska
  • A. Góra

  - BIOINFORMATICS - Year 2017

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Year 2016

• Engineering a de Novo Transport Tunnel

  Publication

  • J. Brezovsky
  • P. Babkova
  • O. Degtjarik
  • A. Fortova
  • A. Gora
  • I. Iermak
  • P. Rezacova
  • P. Dvorak
  • I. Smatanova
  • Z. Prokop... and 3 others

  - ACS Catalysis - Year 2016

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Year 2014

• CAVER Analyst 1.0: graphic tool for interactive visualization and analysis of tunnels and channels in protein structures

  Publication

  • B. Kozlikova
  • E. Sebestova
  • V. Sustr
  • J. Brezovsky
  • O. Strnad
  • L. Daniel
  • D. Bednar
  • A. Pavelka
  • M. Manak
  • M. Bezdeka... and 6 others

  - BIOINFORMATICS - Year 2014

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Year 2013

• Gates of Enzymes

  Publication

  • A. Gora
  • J. Brezovsky
  • J. Damborsky
  • A. Góra

  - CHEMICAL REVIEWS - Year 2013

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• Software tools for identification, visualization and analysis of protein tunnels and channels

  Publication

  • J. Brezovsky
  • E. Chovancova
  • A. Gora
  • A. Pavelka
  • L. Biedermannova
  • J. Damborsky
  • A. Góra

  - BIOTECHNOLOGY ADVANCES - Year 2013

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• The effect of a unique halide-stabilizing residue on the catalytic properties of haloalkane dehalogenase DatA fromAgrobacterium tumefaciensC58

  Publication

  • K. Hasan
  • A. Gora
  • J. Brezovsky
  • R. Chaloupkova
  • H. Moskalikova
  • A. Fortova
  • Y. Nagata
  • J. Damborsky
  • Z. Prokop
  • A. Góra

  - FEBS Journal - Year 2013

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Year 2012

• A Single Mutation in a Tunnel to the Active Site Changes the Mechanism and Kinetics of Product Release in Haloalkane Dehalogenase LinB*

  Publication

  • L. Biedermannová
  • Z. Prokop
  • A. Gora
  • E. Chovancová
  • M. Kovács
  • J. Damborský
  • R. Wade
  • A. Góra

  - JOURNAL OF BIOLOGICAL CHEMISTRY - Year 2012

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• CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures

  Publication

  • E. Chovancova
  • A. Pavelka
  • P. Benes
  • O. Strnad
  • J. Brezovsky
  • B. Kozlikova
  • A. Gora
  • V. Sustr
  • M. Klvana
  • P. Medek... and 4 others

  - PLoS Computational Biology - Year 2012

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Year 2011

• Computer-assisted enzyme engineering by modification of tunnels, channels and gates

  Publication

  • A. Gora
  • J. Brezovsky
  • J. Damborsky
  • A. Góra

  - CURRENT OPINION IN BIOTECHNOLOGY - Year 2011

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Year 2006

• Lower Temperature Dehydrogenation of Methylcyclohexane by Membrane-assisted Equilibrium Shift

  Publication

  • A. Gora
  • D. Tanaka
  • F. Mizukami
  • T. Suzuki
  • A. Góra

  - CHEMISTRY LETTERS - Year 2006

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• Quantum chemical modeling of electrochromism of tungsten oxide films

  Publication

  • E. Broclawik
  • A. Góra
  • P. Liguzinski
  • P. Petelenz
  • H. Witek
  • A. Góra

  - JOURNAL OF CHEMICAL PHYSICS - Year 2006

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Year 2005

• Quantum chemical modelling of the process of lithium insertion into WO3 films

  Publication

  • E. Broclawik
  • A. Góra
  • P. Liguzinski
  • P. Petelenz
  • M. Slawik
  • A. Góra

  - CATALYSIS TODAY - Year 2005

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Year 2004

• Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations

  Publication

  • A. Góra
  • E. Brocławik
  • A. Góra

  - JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL - Year 2004

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Year 2003

• Microscopic calculation of the energetics of ions in polyethylene

  Publication

  • A. Eilmes
  • R. Munn
  • A. Góra
  • A. Góra

  - JOURNAL OF CHEMICAL PHYSICS - Year 2003

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• Microscopic calculation of the static electric susceptibility of polyethylene

  Publication

  • A. Eilmes
  • R. Munn
  • V. Mavrantzas
  • D. Theodorou
  • A. Góra
  • A. Góra

  - JOURNAL OF CHEMICAL PHYSICS - Year 2003

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Year 2001

• Low-temperature reactivity of the surface species of vanadia–tungsta catalyst

  Publication

  • M. Najbar
  • A. Góra
  • A. Białas
  • A. Wesełucha-Birczyńska
  • A. Góra

  - SOLID STATE IONICS - Year 2001

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• The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface — quantum chemical modeling (DFT)

  Publication

  • E. Broclawik
  • A. Góra
  • M. Najbar
  • A. Góra

  - JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL - Year 2001

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Year 2000

• Evolution of the surface species of the V2O5–WO3 catalysts

  Publication

  • M. Najbar
  • E. Brocławik
  • A. Góra
  • J. Camra
  • A. Białas
  • A. Wesełucha-Birczyńska
  • A. Góra

  - CHEMICAL PHYSICS LETTERS - Year 2000

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• Quantum chemical modeling (DFT) of active species on the VWO catalyst surface in various redox conditions

  Publication

  • A. Góra
  • E. Brocławik
  • M. Najbar
  • A. Góra

  - Computers & Chemistry - Year 2000

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