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Showing results 1 to 16 of 16
Year of PublicationTitleAuthor(s)Open Access
2017A glycerophospholipid-specific pocket in the RVFV class II fusion protein drives target membrane insertionGuardado-Calvo, P; Atkovska, K; Jeffers, S A, et al
2018Assigning crystallographic electron densities with free energy calculations-The case of the fluoride channel FlucAriz-Extreme, Igor; Hub, Jochen Sebastian
2017Bayesian refinement of protein structures and ensembles against SAXS data using molecular dynamicsShevchuk, Roman; Hub, Jochen Sebastian
2019Combined Small-Angle X-ray and Neutron Scattering Restraints in Molecular Dynamics SimulationsChen, Po-Chia; Shevchuk, Roman; Strnad, Felix M., et al
2017Energetics and mechanism of anion permeation across formate-nitrite transportersAtkovska, Kalina; Hub, Jochen Sebastian
2019Free-Energy Calculations of Pore Formation in Lipid MembranesAwasthi, N.; Hub, Jochen Sebastian
2018Interpreting solution X-ray scattering data using molecular simulationsHub, Jochen Sebastian
2018Merging In-Solution X-ray and Neutron Scattering Data Allows Fine Structural Analysis of Membrane-Protein Detergent ComplexesDias Mirandela, Gaëtan; Tamburrino, Giulia; Ivanović, Miloš T, et al
2018Metastable Prepores in Tension-Free Lipid BilayersTing, Christina L; Awasthi, Neha; Müller, Marcus, et al
2019Molecular Mechanism of Polycation-Induced Pore Formation in BiomembranesAwasthi, Neha; Kopec, Wojciech; Wilkosz, Natalia, et al
2017Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISMAriz-Extreme, Igor; Hub, Jochen Sebastian
2017Probing a Continuous Polar Defect: A Reaction Coordinate for Pore Formation in Lipid MembranesHub, Jochen Sebastian; Awasthi, Neha
2018Quantifying the influence of the ion cloud on SAXS profiles of charged proteinsIvanović, Miloš T.; Bruetzel, Linda K.; Shevchuk, Roman, et al
2018Rationalizing Steroid Interactions with Lipid Membranes: Conformations, Partitioning, and KineticsAtkovska, Kalina; Klingler, Johannes; Oberwinkler, Johannes, et al
2019SAXS-Restrained Ensemble Simulations of Intrinsically Disordered Proteins with Commitment to the Principle of Maximum EntropyHermann, Markus R.; Hub, Jochen Sebastian
2018Temperature-Dependent Atomic Models of Detergent Micelles Refined against Small-Angle X-Ray Scattering DataIvanović, Miloš T; Bruetzel, Linda K; Lipfert, Jan, et al