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  • We developed new parameters for molecular dynamics (MD) simulations, namely partial atomic charges, equilibrium bond-lengths, angles, dihedrals, atom types, and force constants of chlorophyll a (Chl) and plastoquinone (PQ), and both reduced and neutral form of primary acceptor (PHO) molecule. These parameters are essential for MD simulations that can interpret various structure functional relationships during primary processes of charge separation and stabilization in photosystem 2 reaction centres.
  • We developed new parameters for molecular dynamics (MD) simulations, namely partial atomic charges, equilibrium bond-lengths, angles, dihedrals, atom types, and force constants of chlorophyll a (Chl) and plastoquinone (PQ), and both reduced and neutral form of primary acceptor (PHO) molecule. These parameters are essential for MD simulations that can interpret various structure functional relationships during primary processes of charge separation and stabilization in photosystem 2 reaction centres. (en)
  • Vyvinuli jsme nové parametry v simulacích molekulární dynamiky (MD)a nové at. typy a konstanty silového pole pro chlorofyl (Chl), plastochinon (PQ) a dve formy molekuly feofytinu.Tyto parametry jsou nutné pro MD simulace pomocí kterých můžeme interpretovat rozličné vztahy mezi strukturou a funkcí v průběhu primárních procesů nábojové separace a stabilizace v reakčním centru fotosystému II. (cs)
Title
  • Force field development on pigments of photosystem 2 reaction centre
  • Force field development on pigments of photosystem 2 reaction centre (en)
  • Vývoj silového pole pro pigmenty reakčního centra fotosystému 2 (cs)
skos:prefLabel
  • Force field development on pigments of photosystem 2 reaction centre
  • Force field development on pigments of photosystem 2 reaction centre (en)
  • Vývoj silového pole pro pigmenty reakčního centra fotosystému 2 (cs)
skos:notation
  • RIV/67179843:_____/05:00029247!RIV06-AV0-67179843
http://linked.open.../vavai/riv/strany
  • 417;420
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GP206/02/D177), Z(AV0Z50510513)
http://linked.open...iv/cisloPeriodika
  • 3
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 521905
http://linked.open...ai/riv/idVysledku
  • RIV/67179843:_____/05:00029247
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • photosystem 2 (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV
  • [0661822C9EC0]
http://linked.open...i/riv/nazevZdroje
  • Zoologischer Anzeiger
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 43
http://linked.open...iv/tvurceVysledku
  • Palenčár, Peter
http://linked.open...n/vavai/riv/zamer
issn
  • 0044-5231
number of pages
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