2 papers
physics.bio-ph2017
Proton network flexibility enables robustness and large electric fields in the ketosteroid isomerase active site
Lu Wang, Stephen D. Fried, Thomas E. Markland
Hydrogen bond networks play vital roles in biological functions ranging from protein folding to enzyme catalysis. Here we combine electronic structure calculations and ab initio pa…
physics.chem-ph2016
Generalized Quantum Master Equations In and Out of Equilibrium: When Can One Win?
Aaron Kelly, Andrés Montoya-Castillo, Lu Wang +1
Generalized quantum master equations (GQMEs) are an important tool in modeling chemical and physical processes. For a large number of problems it has been shown that exact and appr…