RNDr. Petr Kulhánek, Ph.D.
Výzkumný pracovník II, National Centre for Biomolecular Research
correspondence Address:
Kotlářská 267/2, 611 37 Brno
office: bldg. C04/231
Kamenice 753/5
625 00 Brno
phone: | +420 549 49 5459 |
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e‑mail: |
social and academic networks: |
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Total number of publications: 107
2009
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Electron Density Shift in Imidazolium Derivatives upon Complexation with Cucurbit[6]uril
Chemistry - A European Journal, year: 2009, volume: 15, edition: 28, DOI
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Evaluating Boundary Dependent Errors in QM/MM Simulations
Journal of Physical Chemistry B, year: 2009, volume: 2009, edition: 113(17)
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Charge Localization on Imidazolium Ring upon Complexation with Cucurbit[6]uril
Year: 2009, type: Conference abstract
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Implementation and Testing of Multiple Walkers Approach Based Free Energy Calculations in the Grid Environment
GCCP Proceedings, year: 2009
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Implementation of Parallel Analyzes of Molecular Dynamics Simulation Trajectories
Year: 2009, type: Conference abstract
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Large-Scale Free Energy Calculations as Showcase of Worldwide Grid Usability
Year: 2009, type: Conference abstract
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Pathways and Mechanisms for Product Release in the Engineered Haloalkane Dehalogenases Explored using Classical and Random Acceleration Molecular Dynamics Simulations.
JOURNAL OF MOLECULAR BIOLOGY, year: 2009, volume: 2009, edition: 00
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The Energy Gap as a Universal Reaction Coordinate for the Simulation of Chemical Reactions
Journal of Physical Chemistry B, year: 2009, volume: 2009, edition: 113(22)
2008
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Mechanism of Hydrogen Bond Array Isomerization in Tetrahydroxycalix[4]arene and Tetrahydroxythiacalix[4]arene
Journal of Physical Chemistry A, year: 2008, volume: 112, edition: 1
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Molecular dynamics study of Pseudomonas eruginosa lectin-II complexed with monosaccharides
Proteins: Structure, Function, and Bioinformatics, year: 2008, volume: 72, edition: 1