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10 972 (0,13s) •

Project

Design of molecular circuits from simulations and machine learning (GA23-05891S)

approach to molecular conductance and will provide design rules for single molecule to design efficient single molecule circuits. This highly automated procedure will generalize the search for molecular conductors...

Physical chemistry

  • 2023 - 2025
    • •
  • 7 255 tis. Kč
    • •
  • 6 686 tis. Kč
    • •
  • GA ČR
Project

2&3-D Arrays of Molecular Rotors New Materials for Nanotechnology (ME09020)

(1) Investigation of properties of artificial molecular machines and their characterization. (2) Help to design new synthetically convenient molecules.......

CC - Organická chemie

  • 2009 - 2012
    • •
  • 1 660 tis. Kč
    • •
  • 1 660 tis. Kč
    • •
  • MŠMT
Project

Correction of molecular mechanics potentials of drug-like molecules by property map (GA19-16857S)

Molecular dynamics simulation shows a great potential in drug design and other computational cost and by low accuracy of molecular mechanics potentials, especially calculation of its energy and correction of the molecul...

Physical chemistry

  • 2019 - 2021
    • •
  • 4 519 tis. Kč
    • •
  • 4 087 tis. Kč
    • •
  • GA ČR
Project

Molecular characterisation of resistant mutants of viral protease from HIV-positive patients developed under the selection pressure of protease inhibitors design of novel inhibitors and diagnostics (NR8571)

The project involves analysis of resistance development in HIV-positive patients treated by protease inhibitors in the CR, design of novel, non-infectious phenotypic resistance assays and design of novel inhibitors, active against r...

FN - Epidemiologie, infekční nemoci a klinická imunologie

  • 2005 - 2007
    • •
  • 3 829 tis. Kč
    • •
  • 3 621 tis. Kč
    • •
  • MZ
Project

Computer Aided Desing of Templated Assembling, Replication and Synthesis on Ionic Substrates (GM22-06008M)

nanomachines, such as molecular computers, is the lack of scaleable nanofabrication methods allowing precise assembly of many different molecular components. Living methods for scalable bottom-up fabrication of molecular ...

Nano-processes (applications on nano-scale); (biomaterials to be 2.9)

  • 2022 - 2026
    • •
  • 16 876 tis. Kč
    • •
  • 16 876 tis. Kč
    • •
  • GA ČR
Project

Moleculat Contruction Kit Computer Simulations of Molecular Propellers (IAB4040006)

, at the University of Colorado, Boulder, whose objective is the construction of designer solids locations. In this particular proposal we propose to explore computationally designer solids carring mobile groups (molecular ...

CF - Fyzikální chemie a teoretická chemie

  • 2000 - 2002
    • •
  • 1 012 tis. Kč
    • •
  • 622 tis. Kč
    • •
  • AV ČR
Project

Could light-driven molecular motors propel microscopic objects? (GA20-13745S)

This project is focused on design, synthesis and study of the new type of light-propelled molecular-level devices that may serve as novel propulsion systems synthesis of the triptycene-based molecular machines containing on...

Organic chemistry

  • 2020 - 2022
    • •
  • 7 143 tis. Kč
    • •
  • 6 965 tis. Kč
    • •
  • GA ČR
Project

Novel monomers for liquid crystalline molecular switches (OC 176)

design and preparation of monomers of symetric or asymetric banana-like liquid crystales with aromatic or heteroaromatic nucleus containing photochrome unit in molecule......

CD - Makromolekulární chemie

  • 2007 - 2009
    • •
  • 864 tis. Kč
    • •
  • 864 tis. Kč
    • •
  • MŠMT
Project

Combinatorial chemistry in design of novel modulators of glycosidases function (OC D16.001)

The synthetic combinatorial libraries will be used for design of novel low-molecular weight inhibitors of glycosidases. The mimetics represent more effective and specific alternative to natural glycosidases inhibitors of saccharidic...

CE - Biochemie

  • 2002 - 2004
    • •
  • 1 509 tis. Kč
    • •
  • 1 006 tis. Kč
    • •
  • MŠMT
Project

Optical Properties throughout Chemical Space via Machine Learning (GN22-13489O)

for inverse molecular design will be implemented and applied to the optimization is proposed. New molecular descriptors specific for excited-state properties will be designed as well. Moreover, we plan to predict ...

Physical chemistry

  • 2022 - 2025
    • •
  • 4 017 tis. Kč
    • •
  • 4 017 tis. Kč
    • •
  • GA ČR
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