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5 700 (0,178s) •

Project

Systematic mapping of the conformational space of short peptides through molecular dynamics simulation - a way to understanding of protein structure formation. (LH11020)

as the reference for two dimensional fit of the potential energy surface obtained by an empirical potential method. The parameters of the fit will be integrated into torsional term in the empirical force field fun...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2014
    • •
  • 1 660 tis. Kč
    • •
  • 1 660 tis. Kč
    • •
  • MŠMT
Project

Entrepreneurship and Institutional Change The Case of the Austro-Hungarian Empire Collapse and the Creation of Czechoslovakia (GA22-28539S)

Empire. Our central thesis is that before the collapse, a substantial amount autonomy within the Empire. The foundation of Czechoslovakia opened the possibility of the market had potential negative impacts on productivity....

Economic Theory

  • 2022 - 2024
    • •
  • 3 784 tis. Kč
    • •
  • 3 784 tis. Kč
    • •
  • GA ČR
Project

Structure and dynamics of animo acids (GA203/98/1166)

will be used for reparametrisation and/or design of empirical potential. This potentialPotential energy surface of small amino acids will be studied using ab initio. Verification of potential found will b...

CF - Fyzikální chemie a teoretická chemie

  • 1998 - 2000
    • •
  • 1 880 tis. Kč
    • •
  • 1 234 tis. Kč
    • •
  • GA ČR
Project

Constructing accurate pair potentials from their ab initio approximants and accurate experimental data using the homotopic deformation (morphing)approach. (LH11022)

The objective is to develop a theoretical scheme which allows constructing of highly accurate pair potentials by morphing the appropriate theoretical/empirical approximants in terms of very few ("free") parameters which are to be de...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2014
    • •
  • 1 112 tis. Kč
    • •
  • 1 112 tis. Kč
    • •
  • MŠMT
Project

Structure and thermodynamics of molecular clusters - structural changes in water clusters. (IAA401870702)

employing both empirical and accurate ab initio interaction potentials. Canonical semi-empirical potential energy surfaces at the asymptotic nuclear configurations.......

CF - Fyzikální chemie a teoretická chemie

  • 2007 - 2011
    • •
  • 3 547 tis. Kč
    • •
  • 2 747 tis. Kč
    • •
  • AV ČR
Project

Protein-DNA Complexes and Force Field Development (GA20-28231S)

more reliable empirical potentials for molecular modeling of nucleic acids. will be used to fine-tune potentials obtained from fitting quantum mechanical data. Our......

Physical chemistry

  • 2020 - 2022
    • •
  • 2 687 tis. Kč
    • •
  • 2 687 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)

to the construction of the pair-potentials using homotopic shape deformation (morphing) of approximate (empirical, ab initio) potential energy functions and accurate experimental......

CF - Fyzikální chemie a teoretická chemie

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

Atomic level studies of metastable structures in TiAl (ME 264)

Study of metastable structures in TiAl system generated by large deformations, which transform the initial structure into new structures of different symmetry. The total energy will be determined synergetically using empirical many-body ...

BM - Fyzika pevných látek a magnetismus

  • 1998 - 2000
    • •
  • 1 931 tis. Kč
    • •
  • 651 tis. Kč
    • •
  • MŠMT
Project

Theoretical and Experimental Analysis of Material Damage and its Coupling with Thermal and Hygric Properties of Building Materials (ME 931)

of currently used homogenization techniques potentially applicable for using in dielectric mixing models and identification of perspective formulas. 3. Empirical determination on the empirical relations between dielectric ...

JN - Stavebnictví

  • 2007 - 2007
    • •
  • 199 tis. Kč
    • •
  • 199 tis. Kč
    • •
  • MŠMT
Project

AI Authorship and Interpretation (GF25-14501L)

. Drawing from poststructuralist traditions and empirical methods, it explores-using artists and writers, and empirical research involving participants co-creating potentially impact copyright law and diverse humanities fie...

Anthropology, ethnology

  • 2025 - 2027
    • •
  • 3 935 tis. Kč
    • •
  • 3 776 tis. Kč
    • •
  • GA ČR
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