Guiding Double Electron Electron Resonance Experiments using Information Theory and Molecular Dynamics Simulations
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2016.11.1064
Abstract: Flexible proteins present a unique set of challenges for refinement with either computational or experimental techniques: because these proteins occupy a large conformational space, standard molecular dynamics (MD) simulations can be prohibitively expensive, and high-resolution… read more here.
Keywords: information; molecular dynamics; double electron; electron electron ... See more keywords
Molecular Breakdown of Double Electron-Electron Resonance Data with Atomistic Simulations
Sign Up to like & getrecommendations! Published in 2017 at "Biophysical Journal"
DOI: 10.1016/j.bpj.2016.11.2389
Abstract: Double Electron-Electron Resonance (DEER) spectroscopy has become a landmark technique to investigate the structure and dynamics of membrane proteins, in different functional states and physiological conditions. From DEER experiments it is possible to obtain any… read more here.
Keywords: deer; double electron; electron electron; spectroscopy ... See more keywords
Photoinduced Charge Separation via the Double-Electron Transfer Mechanism in Nitrogen Vacancies g-C3N5/BiOBr for the Photoelectrochemical Nitrogen Reduction.
Sign Up to like & getrecommendations! Published in 2020 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.0c11894
Abstract: Due to the harsh reaction conditions, high energy consumption, and numerous carbon emissions of the traditional Haber-Bosch method, the fixation of nitrogen under environmentally friendly and milder conditions is of great importance. Recently, photoelectrochemical (PEC)… read more here.
Keywords: nitrogen; double electron; electron transfer; transfer mechanism ... See more keywords
Quantitative Agreement between Conformational Substates of Holo Calcium-Loaded Calmodulin Detected by Double Electron-Electron Resonance EPR and Predicted by Molecular Dynamics Simulations.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.2c02201
Abstract: Calcium-loaded calmodulin (CaM/4Ca2+) comprises two domains that undergo rigid body reorientation from a predominantly extended conformation to a compact one upon binding target peptides. A recent replica-exchange molecular dynamics (MD) simulation on holo CaM/4Ca2+ suggested… read more here.
Keywords: loaded calmodulin; molecular dynamics; double electron; calcium loaded ... See more keywords
Radiative Double-Electron Capture by Bare and One-Electron Ions on Gas Targets.
Sign Up to like & getrecommendations! Published in 2020 at "Physical review letters"
DOI: 10.1103/physrevlett.124.133401
Abstract: Radiative double-electron capture (RDEC) involves the transfer of two electrons with the simultaneous emission of a single photon. This process, which can be viewed as the inverse of double photoionzation, has been studied for 2.11 MeV/u… read more here.
Keywords: electron capture; double electron; gas targets; radiative double ... See more keywords