Browsing GGNB - Göttinger Graduiertenzentrum für Neurowissenschaften, Biophysik und molekulare Biowissenschaften by Referee "Mata, Ricardo Prof. Dr."
Now showing items 1-5 of 5
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Molecular dynamics simulations of ion permeation and gating in potassium channels
(2025-03-13)Potassium (K+) channels are transmembrane ion channels that conduct K+ ions with exceptional selectivity and permeation rates. K+ channels participate in a plethora of important cellular processes, including termination ... -
Constant pH Molecular Dynamics through λ-dynamics
(2025-02-26)This thesis presents a novel implementation of constant pH molecular dynamics simulations using λ-dynamics with Hamiltonian interpolation, enabled by an efficient Fast Multipole Method electrostatic solver. The accuracy ... -
Structural interrogation of enzyme mechanism and dynamics
(2023-05-05)The pyruvate dehydrogenase complex (PDHc) is one of the largest macromolecular enzyme complexes, and serves an universally important metabolic function by converting pyruvate into acetyl-CoA. Therefore, the PDHc connects ... -
Reaction mechanism of hOMPD and CaAAD at atomic resolution
(2019-12-12)Decarboxylation reactions are fundamental processes in the chemistry of the animated world. Thus, the evolution of decarboxylases brought up a stunning array of diverse enzymes utilizing a variety of different mechanisms ... -
Phosphoketolase - A mechanistic update
(2018-08-22)The thiamine diphosphate (ThDP)-dependent enzyme phosphoketolase catalyzes the phosphorolytic cleavage of fructose-6-phosphate and/or xylulose 5-phosphate under the generation of the high-energy metabolite acetyl phosphate, ...