activity
20042023
most citedInterfacial adhesion between graphene and silicon dioxide by density functional theory with van der Waals corrections

153 citations · 278 across the 7 of their papers we have counts for

collaborators
Showing 2004Show all

1 paper · 1 filter

physics.chem-ph2004★ 26 cited

Conformational Dependence of a Protein Kinase Phosphate Transfer Reaction

Graeme Henkelman, Montiago X. LaBute, Chang-Shung Tung +2

Atomic motions and energetics for a phosphate transfer reaction catalyzed by the cAMP-dependent protein kinase (PKA) are calculated by plane-wave density functional theory, startin…