Parametrization of 2-thiouracil and 4-thiouracil in CHARMM all-atom empirical force field

• Autorzy: Sarzyńska J. , Kuliński T.
• Języki publikacji: EN

Abstrakty

EN

A new set of force field parameters complementing the CHARMM27 all atom empirical force field for nucleic acids was developed for 2-thiouracil and 4-thiouracil, two naturally modified RNA bases. The new parameters allow for molecular modeling and molecular dynamics simulations of RNA containing 2-thiouracil and 4-thiouracil.

Słowa kluczowe

EN

CHARMM; force field; nucleic acids; 2-thiouracil; 4-thiouracil; molecular dynamics; quantum mechanical calculation

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2005
• Tom: Vol. 11, nr 1
• Strony: 49--55
• Opis fizyczny: Bibliogr. 25 poz., rys.

Twórcy

autor

Sarzyńska J.

• Institute of Bioorganic Chemistry, Polish Academy of Sciences Noskowskiego 12/14, 61-704 Poznań, Poland

autor

Kuliński T.

• Institute of Bioorganic Chemistry, Polish Academy of Sciences Noskowskiego 12/14, 61-704 Poznań, Poland

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