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7 369 (0,119s) •

Project

Structure and dynamics of complex molecular systems and biomolecules (LN00A032)

, and experimental study of the structure, energetics, dynamics, and reactivity of molecular clusters, molecular sieves, DNA, and proteins in the gas and liquid phases.The proposed of computational techniques including quan...

CF - Fyzikální chemie a teoretická chemie

  • 2000 - 2004
    • •
  • 134 562 tis. Kč
    • •
  • 88 398 tis. Kč
    • •
  • MŠMT
Project

Photochemical mechanisms studied by means of quantum chemistry, quantum dynamics and molecular simulations Method developement and applications (GP203/07/P449)

and application of the ab initio quantum molecular dynamics method. In this approach combination of quantum chemistry and molecular dynamics. The nuclear quantum dynamics mechanisms. Methods of quantum ch...

CF - Fyzikální chemie a teoretická chemie

  • 2007 - 2009
    • •
  • 675 tis. Kč
    • •
  • 675 tis. Kč
    • •
  • GA ČR
Project

Dynamics and (Photo)Chemistry of Pollutants at the Ice/Air and Water/Air Interfaces by Experiment and Theory (GA15-12386S)

calculations, and molecular dynamics simulations using both classical and path-integral-of-the-art non-adiabatic ab initio molecular dynamics simulations.The project focuses on molecular-level understandi...

CF - Fyzikální chemie a teoretická chemie

  • 2015 - 2017
    • •
  • 10 826 tis. Kč
    • •
  • 10 826 tis. Kč
    • •
  • GA ČR
Project

Vibrational non-harmonicity and quantum effects in molecular dynamics. Constructing pair-potentials using the homotopic shape deformation (morphing). (GAP208/11/0436)

-harmonic vibrational dynamics of a complex molecular system and exploration of its role in large molecular (conformational) reorganisations. High priority is given data. The aim is to characterise the molecular re...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2014
    • •
  • 1 160 tis. Kč
    • •
  • 1 160 tis. Kč
    • •
  • GA ČR
Project

Molecular modeling of RNA molecules and their complexes the role of structural dynamics (GA20-16554S)

Explicit solvent molecular dynamics simulations will be carried out for a broad ensemble-averaged picture of the molecular recognition. Structural dynamics dynamics, local substates and partial disorder ma...

Biochemistry and molecular biology

  • 2020 - 2022
    • •
  • 5 727 tis. Kč
    • •
  • 5 727 tis. Kč
    • •
  • GA ČR
Project

Center for biomolecules and complex molecular systems (LC512)

, energetics, dynamics, and activity in biomolecular systems. The principal goal is to enlarge our knowledge of the molecular structure and dynamics of these systems combining quantum chemical and molecular dyn...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2011
    • •
  • 131 321 tis. Kč
    • •
  • 92 018 tis. Kč
    • •
  • MŠMT
Project

Protein computer modeling and molecular dynamics simulation (1ET400110403)

structure modelling and of the molecular dynamics simulation equipped with and adequate and molecular dynamics. The practical goal will be a contribution to understanding of the molecular mechanism of the...

BO - Biofyzika

  • 2004 - 2007
    • •
  • 2 040 tis. Kč
    • •
  • 2 040 tis. Kč
    • •
  • AV ČR
Project

Electron-transfer dynamics in complex molecular systems (LTC17052)

Newly developed methodology for description of dynamical electron transfer processes will be applied to complex molecular systems containing transition metal atoms transfer excited states and consequently the dynamical shif...

CF - Fyzikální chemie a teoretická chemie

  • 2017 - 2019
    • •
  • 1 175 tis. Kč
    • •
  • 1 175 tis. Kč
    • •
  • MŠMT
Project

Structure and dynamics of DNA nitrogeneous bases, base pairs, oligonucleotides and their complexes with water, ions and drugs (GA203/05/0009)

Structure and dynamics of nucleic acids are determined by molecular and quantum chemical approaches. In order to complete the research, molecular dynamics of the molecular interactions in nucleic acids wil...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2007
    • •
  • 4 700 tis. Kč
    • •
  • 4 700 tis. Kč
    • •
  • GA ČR
Project

Molecular dynamics of essential building blocks of biomolecules experiments in molecular beams and theory. (GA14-14082S)

in the laboratory of Molecular and Cluster Dynamics will be exploited: the UV photodissociationStudy of photodissociation and ionization dynamics of small molecules which are essential building blocks of biomolecules is pr...

CF - Fyzikální chemie a teoretická chemie

  • 2014 - 2016
    • •
  • 5 599 tis. Kč
    • •
  • 5 599 tis. Kč
    • •
  • GA ČR
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