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List of works by Vojtech Spiwok

A framework to assess the quality and impact of bioinformatics training across ELIXIR

scientific article published on 23 July 2020

Active site complementation and hexameric arrangement in the GH family 29; a structure-function study of α-l-fucosidase isoenzyme 1 from Paenibacillus thiaminolyticus

scientific article published on 01 January 2019

Alpha-L-fucosidase isoenzyme iso2 from Paenibacillus thiaminolyticus

scientific article

Altruistic Metadynamics: Multisystem Biased Simulation.

scientific article published on 18 February 2016

Anncolvar: Approximation of Complex Collective Variables by Artificial Neural Networks for Analysis and Biasing of Molecular Simulations

article

Biocatalyzed synthesis of difuranosides and their ability to trigger production of TNF-α.

scientific article published on 08 February 2016

Biochemical properties of three plant nucleases with anticancer potential ⬇️

scientific article published on October 16, 2010

CH/π Interactions in Carbohydrate Recognition.

scientific article

Cold-active beta-galactosidase from Arthrobacter sp. C2-2 forms compact 660 kDa hexamers: crystal structure at 1.9A resolution

scientific article published in October 2005

Cold-active enzymes studied by comparative molecular dynamics simulation

scientific article published on 18 January 2007

Conformational Free Energy Surface of α-N-Acetylneuraminic Acid: An Interplay Between Hydrogen Bonding and Solvation

scientific article published on 01 July 2009

Conformational free energy modeling of druglike molecules by metadynamics in the WHIM space.

scientific article

Continuous metadynamics in essential coordinates as a tool for free energy modelling of conformational changes.

scientific article

Dispersion interactions of carbohydrates with condensate aromatic moieties: Theoretical study on the CH–π interaction additive properties

scientific article published on 14 July 2011

Effect of chain elongation on biological properties of the toxin paralysin β-alanyl-tyrosine

scientific article published in April 2014

Enhanced sampling techniques in biomolecular simulations

scientific article

Enzymatic synthesis of oligo-D-galactofuranosides and l-arabinofuranosides: from molecular dynamics to immunological assays.

scientific article published on 11 March 2010

Estradiol dimer inhibits tubulin polymerization and microtubule dynamics

scientific article published on 24 May 2018

Free-Energy Surface Prediction by Flying Gaussian Method: Multisystem Representation

scientific article

Global Scale Transcriptional Profiling of Two Contrasting Barley Genotypes Exposed to Moderate Drought Conditions: Contribution of Leaves and Crowns to Water Shortage Coping Strategies.

scientific article published on 27 December 2016

Membrane Interactions of the Mason-Pfizer Monkey Virus Matrix Protein and Its Budding Deficient Mutants

scientific article

Metadynamics in essential coordinates: free energy simulation of conformational changes

scientific article published on 6 March 2007

Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.

scientific article published in December 2011

Metadynamics modelling of the solvent effect on primary hydroxyl rotamer equilibria in hexopyranosides.

scientific article

Modelling of beta-D-glucopyranose ring distortion in different force fields: a metadynamics study

scientific article published on 21 December 2009

Modelling of carbohydrate–aromatic interactions: ab initio energetics and force field performance

scientific article published on 01 December 2005

Molecular aspects of the interaction between Mason-Pfizer monkey virus matrix protein and artificial phospholipid membrane.

scientific article published on 31 August 2016

Molecular simulations of hevein/(GlcNAc)3 complex with weakened OH/O and CH/π hydrogen bonds: implications for their role in complex stabilization

scientific article published on 07 March 2015

Multisystem altruistic metadynamics-Well-tempered variant.

scientific article published in March 2017

Nonlinear vs. linear biasing in Trp-cage folding simulations.

scientific article published in March 2015

Nucleotide binding triggers a conformational change of the CBS module of the magnesium transporter CNNM2 from a twisted towards a flat structure

scientific article published in November 2014

On the Association of the Base Pairs on the Silica Surface Based on Free Energy Biased Molecular Dynamics Simulation and Quantum Mechanical Calculations

article

PEGylated Purpurin 18 with Improved Solubility: Potent Compounds for Photodynamic Therapy of Cancer

scientific article published on 06 December 2019

Poly-N-Acetyllactosamine Neo-Glycoproteins as Nanomolar Ligands of Human Galectin-3: Binding Kinetics and Modeling

scientific article

Potential-energy and free-energy surfaces of glycyl-phenylalanyl-alanine (GFA) tripeptide: experiment and theory

scientific article published in January 2008

Reducing the number of mean-square deviation calculations with floating close structure in metadynamics

scientific article published in March 2017

Role of CH/pi interactions in substrate binding by Escherichia coli beta-galactosidase.

scientific article published in September 2004

Role of Mason-Pfizer monkey virus CA-NC spacer peptide-like domain in assembly of immature particles.

scientific article published on October 2014

Sampling Enhancement and Free Energy Prediction by the Flying Gaussian Method

scientific article published on 24 August 2016

Synthesis, in vitro, and in silico evaluation of organometallic technetium and rhenium thymidine complexes with retained substrate activity toward human thymidine kinase type 1.

scientific article published on 7 October 2008

The C-type lectin-like receptor Nkrp1b: Structural proteomics reveals features affecting protein conformation and interactions

scientific article published on 08 November 2018

The dehydration stress of couch grass is associated with its lipid metabolism, the induction of transporters and the re-programming of development coordinated by ABA. ⬇️

scientific article published on 2 May 2018

The versatile enzyme Araf51 allowed efficient synthesis of rare pathogen-related β-D-galactofuranosyl-pyranoside disaccharides.

scientific article published on May 2014

Thermodynamics of the interaction between oxytocin and its myometrial receptor in sheep: A stepwise binding mechanism

scientific article published on 07 July 2014

Three-dimensional potential energy surface of selected carbohydrates' CH/π dispersion interactions calculated by high-level quantum mechanical methods

scientific article published on 8 April 2011

Toward an Accurate Conformational Modeling of Iduronic Acid

scientific article published on 15 January 2013

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