High-resolution structural information on membrane proteins is essential for understanding
cell biology and for the structure-based design of new medical drugs and drug delivery …

Cell membranes are incredibly complex environments containing hundreds of components.
Despite substantial advances in the past decade, fundamental questions related to lipid-lipid …

The nanoscopic layer of water that directly hydrates biological membranes plays a critical
role in maintaining the cell structure, regulating biochemical processes, and managing …

Characterization of conformation kinetics of proteins at the interfaces is crucial for
understanding the biomolecular functions and the mechanisms of interfacial biological …

Fast collective motions are widely present in biomolecules, but their functional relevance
remains unclear. Herein, we reveal that fast collective motions of backbone are critical to the …

In this molecular dynamics simulation study, we analyze intermolecular vibrations in the
hydration shell of a solvated enyzme, the membrane type 1–matrix metalloproteinase, with …

The 2.2 Å resolution crystal structure of GlpF, an E. coli aquaporin that facilitates the flow of
glycerol, water and other small solutes, provides much insight into the molecular function …

“Real time” molecular dynamics simulations of water permeation through human aquaporin-
1 (AQP1) and the bacterial glycerol facilitator GlpF are presented. We obtained time …

The flexibilities of extracellular loops determine ligand binding and activation of membrane
receptors. Arising from fluctuations in inter-and intraproteinaceous interactions, flexibility …

Conspectus Lipid membranes are more than just barriers between cell compartments; they
provide molecular environments with a finely tuned balance between hydrophilic and …