Wynik wyszukiwania w bazie Polska Bibliografia Lekarska GBL

Zapytanie: ROMISZOWSKI
Liczba odnalezionych rekordów: 2



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Tytuł oryginału: Formation of secondary structures in polypeptides a Monte Carlo simulation.
Autorzy: Sikorski Andrzej, Romiszowski Piotr
Źródło: Acta Pol. Pharm. 2002: 59 (6) s.466-469, il., bibliogr. 7 poz. - 3 Multidyscyplinarna Konferencja nt. badań nad lekami Piła 13-16.05. 2002
Sygnatura GBL: 301,378

Hasła klasyfikacyjne GBL:
  • farmacja

    Typ dokumentu:
  • praca związana ze zjazdem
  • praca doświadczalna
  • tytuł obcojęzyczny

    Streszczenie angielskie: The lattice approximation of a polypeptide chain was used in the computer simulation. The residues of a model polypeptide were represented by the chain of ŕ-carbons located on a very flexible [310] lattice. The force field contained the long-range contact potential between the residues as well as the local preferences in forming helical structures. The chain consisted of two typs of residues: hydrophillic (P) and hydrophobic (H), forming a typical repeatable helical septet -HHPPHPP-. The simulations were performed by means of the Replica Exchange Monte Carlo method combined with the Histogram method. A series of simulations were performed enabling one to investigate the influence of both components of the force field on the transition temperature and the characteristics of the coil-globule transition. The properties of low-temperature ordered structurs were determined. The thermodynamical description of the model polypeptide was also given. The phase transition was found to be sharp and cooperative for longer and strong helical potential.

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    Tytuł oryginału: Computer simulation of the receptor-ligand system.
    Autorzy: Romiszowski Piotr, Sikorski Andrzej
    Źródło: Acta Pol. Pharm. 2002: 59 (6) s.469-472, il., bibliogr. 5 poz. - 3 Multidyscyplinarna Konferencja nt. badań nad lekami Piła 13-16.05. 2002
    Sygnatura GBL: 301,378

    Hasła klasyfikacyjne GBL:
  • farmacja

    Typ dokumentu:
  • praca związana ze zjazdem
  • praca przeglądowa
  • tytuł obcojęzyczny

    Streszczenie angielskie: A series of Monte Carlo simulation were carried out for receptor-ligand systems taken from the Protein Data Bank. The models or both objects were based on a simplified low-resolution model. The model chains consisted of alpha carbons and side groups represented by united atoms. The excluded volume effect and specific pairwise contact potential were introduced into the model. The process of docking was simulated step-by-step by random translations and reorientations of the ligand. The stability of complexes formed was investigated for a simple statistical potential between amino acid side groups. The feasibility of the model for finding the binding site on the receptor surface and the proper orientation of a docked ligand were also studied.

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