[Dynamic properties, electronic structure and functional activity of radioprotectors].
The methods of molecular dynamics and quantum chemistry were used to study the correlation between the functional activity of radioprotectors and their dynamic properties and atomic charges. It is shown that electrostatic interactions determine the correlation between the dynamics and functional activity of radioprotectors. The effects of conformation dynamics of aminothiols on the functions of radioprotectors is discussed.
Shaĭtan
K V
KV
Lomonosov Moscow State University, Russia.
Vasil'ev
A K
AK
Saraĭkin
S S
SS
Mikhaĭliuk
M G
MG
D004583:Electrons; D015394:Molecular Structure; D011837:Radiation-Protective Agents / Q000737:chemistry* / Q000494:pharmacology*; D055672:Static Electricity
D011837:Radiation-Protective Agents