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Energetics and mechanism of anion permeation across formate-nitrite transporters
Formate-nitrite transporters (FNTs) facilitate the translocation of monovalent polyatomic anions, such as formate and nitrite, across …
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Energetics and mechanism of anion permeation across formate-nitrite transporters
Probing a Continuous Polar Defect: A Reaction Coordinate for Pore Formation in Lipid Membranes
Various biophysical processes involve the formation of aqueous pores over lipid membranes, including processes of membrane fusion, …
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Probing a Continuous Polar Defect: A Reaction Coordinate for Pore Formation in Lipid Membranes
Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM
Membrane channels facilitate the efficient and selective flux of various solutes across biological membranes. A common approach to …
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Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM
Disentangling polydispersity in the PCNA−p15PAF complex, a disordered, transient and multivalent macromolecular assembly
The intrinsically disordered p15$^{PAF}$ regulates DNA replication and repair when interacting with the Proliferating Cell Nuclear …
Tiago N. Cordeiro, Po-chia Chen, Alfredo De Biasio, Nathalie Sibille, Francisco J. Blanco, Jochen S. Hub, Ramon Crehuet, Pau Bernadó
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Disentangling polydispersity in the PCNA−p15PAF complex, a disordered, transient and multivalent macromolecular assembly
Accelerating potential of mean force calculations for lipid membrane permeation: System size, reaction coordinate, solute-solute distance, and cutoffs
Molecular dynamics simulations are capable of predicting the permeability of lipid membranes for drug-like solutes, but the …
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Accelerating potential of mean force calculations for lipid membrane permeation: System size, reaction coordinate, solute-solute distance, and cutoffs
Ultrafast anisotropic protein quake propagation after CO photodissociation in myoglobin
“Protein quake” denotes the dissipation of excess energy across a protein, in response to a local perturbation such as the breaking of …
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Ultrafast anisotropic protein quake propagation after CO photodissociation in myoglobin
Simulations of Pore Formation in Lipid Membranes: Reaction Coordinates, Convergence, Hysteresis, and Finite-Size Effects
Transmembrane pores play an important role in various biophysical processes such as membrane permeation, membrane fusion, and …
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Simulations of Pore Formation in Lipid Membranes: Reaction Coordinates, Convergence, Hysteresis, and Finite-Size Effects
The Lipid Bilayer Provides a Site for Cortisone Crystallization at High Cortisone Concentrations
Cortisone is an injected anti-inflammatory drug that can cause painful side effects known as “steroid flares” which are caused by …
Richard J. Alsop, Adree Khondker, Jochen S. Hub, Maikel C. Rheinstädter
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The Lipid Bilayer Provides a Site for Cortisone Crystallization at High Cortisone Concentrations
Structural Properties of Protein–Detergent Complexes from SAXS and MD Simulations
In experimental studies of solubilized membrane proteins, the detergent corona influences the protein behavior and the resulting …
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Structural Properties of Protein–Detergent Complexes from SAXS and MD Simulations
Quantifying Lateral Inhomogeneity of Cholesterol-Containing Membranes
Lateral inhomogeneity plays a critical role for many properties of cholesterol-containing membranes, yet the thermodynamic forces …
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Quantifying Lateral Inhomogeneity of Cholesterol-Containing Membranes