Effects of Non‐specific and Specific Solvation on Adsorption of BPTI on Au Surface: Insight from Molecular Dynamics Simulation

W Yang, L Zhang, M Li, X Pu, N Zhao - Chinese Journal of Chemical …, 2013 - pubs.aip.org
Proteins adsorption at solid surfaces are of paramount important for many natural processes.
However, the role of specific water in influencing the adsorption process has not been well …

Water and peptide structure at hydrophobic and hydrophilic surfaces

S Roy - 2012 - dspace.library.uvic.ca
In order to better understand the interfacial peptide–water interaction, molecular dynamics
simulations were made for both water, and an amphipathic peptide, LKα14, adsorbed at hy …