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13 861 (0,361s) •

Project

Molecular Modeling of Supercritical Carbon Dioxide-Surfactant-Solute Systems (GA203/02/0805)

will bestudied by molecular simulations and a multiple equilibrium model combined with molecular-level theories. The molecular simulations will be performed on our modification of Larson's lattice model a...

CF - Fyzikální chemie a teoretická chemie

  • 2002 - 2004
    • •
  • 1 965 tis. Kč
    • •
  • 1 005 tis. Kč
    • •
  • GA ČR
Project

Molecular Modeling of Liquid Crystalline Polymers and Intercalates (GA202/03/0818)

Molecular modeling using empirical force fields ( molecular mechanics and classical molecular dynamics simulations ) will be targeted to the development of new liquid crystalline (LC) polymers and intercalates. Met...

BM - Fyzika pevných látek a magnetismus

  • 2003 - 2005
    • •
  • 1 142 tis. Kč
    • •
  • 602 tis. Kč
    • •
  • GA ČR
Project

Atomistic description of ABCC4/MRP4 membrane transporter towards clinical applications (7AMB17FR026)

Main goals of the present project are preparation of atomistic model of human ABCC4/MRP4 transporter by means of state-of-the art of molecular modelling techniquies. The ultimate goal is to provide a model explaini...

FR - Farmakologie a lékárnická chemie

  • 2017 - 2018
    • •
  • 108 tis. Kč
    • •
  • 108 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 transpor...

BO - Biofyzika

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

Computer modelling of chmical structures for the design of macromolecular systems with new biological, mechanical and electronic properties (1ET400500402)

of the project is application of the methods of quantum chemical molecular modeling and structure analysisby the methods of molecular mechanics and molecular dynamics on macromolecular systems, mainly their extens...

CD - Makromolekulární chemie

  • 2004 - 2008
    • •
  • 5 330 tis. Kč
    • •
  • 5 330 tis. Kč
    • •
  • AV ČR
Project

Photoactive molecular electronic devices theoretical study and experimental modeling (GA203/06/0285)

the necessary molecular parameters for the modeling of intramolecular charge carrierThe aim of the project is to suggest new molecular photoelectronic devices. The research activities are focused in theoretical and experim...

CF - Fyzikální chemie a teoretická chemie

  • 2006 - 2008
    • •
  • 2 274 tis. Kč
    • •
  • 2 274 tis. Kč
    • •
  • GA ČR
Project

Molecular simulations at extreme experimental conditions Application of advanced methods to geochemistry (1ET400720507)

methods and algoritms for computer modeling and molecular simulations in geochemistry at porous media. The goal of the project is the development of molecular. The applied methodology starts with the development and optimi...

DD - Geochemie

  • 2005 - 2009
    • •
  • 2 000 tis. Kč
    • •
  • 2 000 tis. Kč
    • •
  • AV ČR
Project

Understanding the molecular mechanism of electroadhesion (LUAUS25140)

of this phenomenon in biomedical applications. Sub-goals: 1. development of molecular models of electroadhesion; 2. use of these models to investigate the influence of the environmentThe main goal of the project is to unde...

Physical chemistry

  • 2025 - 2028
    • •
  • 7 900 tis. Kč
    • •
  • 7 900 tis. Kč
    • •
  • MŠMT
Project

Applicationof advanced simulation methods for studying the structure, physico-chemical properties, and preparationof composites and nanomaterials (1ET400720409)

methods and algoritms for computer modeling and molecular simulations in material. The goal of the projectis the development of molecular simulation methodology starts with the development and optimization of appropriate <...

BM - Fyzika pevných látek a magnetismus

  • 2004 - 2008
    • •
  • 2 226 tis. Kč
    • •
  • 2 226 tis. Kč
    • •
  • AV ČR
Project

Description of thermodynamic behaviour of fluid systems at superambient conditions based on molecular models (IAA4072301)

formulation of interactions at molecular level (by using relatively simple realistic be considered. The techniques used shall include computer molecular simulations as utilizing the general "molecular-thermodynamic referen...

CF - Fyzikální chemie a teoretická chemie

  • 2003 - 2006
    • •
  • 3 038 tis. Kč
    • •
  • 1 310 tis. Kč
    • •
  • AV ČR
  • 1 - 10 out of 13 861