Journament

Keyword Connections - qm/mm calculations Keywords

Connection Type	Connection
Journals	journal of computational chemistry the journal of physical chemistry a
Research Groups	No Research Group Connected
Bibliographies	[1] QM and QM/MM umbrella sampling MD study of the formation of Hg(II)-thymine bond: Model for evaluation of the reaction energy profiles in solutions with constant pH. [2] Gas-Phase Complexes of Americium and Lanthanides with a Bis-Triazinyl Pyridine: Reactivity and Bonding of Archetypes for F-Element Separations. [3] Insight into analysis of interactions of saquinavir with HIV-1 protease in comparison between the wild-type and G48V and G48V/L90M mutants based on QM and QM/MM calculations. [4] modeling chemical reactions by qm/mm calculations: the case of the tautomerization in fireflies bioluminescent systems