Now showing items 1-4 of 4
Enhanced sampling method for free energy calculation and large scale conformational change
A method of directly computing the partition function (or the corresponding free energy) and accelerating configurational sampling is developed. In an expanded ensemble, the method can quickly sample a broad distribution ...
A multi-scale approach for macromolecular systems
Understanding biomolecular dynamics at different time and length scales is key to solving major problems in molecular biology and physical-chemistry. Because of the multiple scales that intrinsically coexist in biological ...
Hydrophobic matching and membrane mediated interactions in lipid bilayers
Hydrophobic matching, in which transmembrane proteins cause the surrounding lipid bilayer to adjust its thickness to match the hydrophobic surface of the protein, is a commonly accepted idea in biophysics, but one that ...
Illuminating biomolecular interactions with localized surface plasmon resonance
Noble metal nanoparticles exhibit localized surface plasmon resonance (LSPR), in which incident light causes a collective oscillation of a nanoparticle's free electrons. This phenomenon results in unique optical properties, ...