Functional Dynamics of Proteins

Lee-Wei Yang,Gabriela Mustata Wilson,Shang-Te Danny Hsu,Yasumasa Joti,Silvina Matysiak

doi:10.1155/2012/242903

Abstract

Functional Dynamics of Proteins

Highlights

We report dynamics stories for biomolecules of different sizes, from crystal waters near the enzyme active sites, “Implication of crystal water molecules in inhibitor binding at ALR2 active site,” HIV-inhibiting peptides “Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interaction,” V2 vasopressin receptor “Membrane protein stability analyses by means of protein energy profiles in case of nephrogenic diabetes insipidus,” ribosomes “Revealing-1 programmed ribosomal frameshifting mechanisms by single-molecule techniques and computational methods,” to “walking” myosins “Coarse-grained simulation of myosin-V movement.”
In Hymavati’s work, theoretical evidence is presented that proteins bind different ligands by engaging a variety of water-bridging patterns “Implication of crystal water molecules in inhibitor binding at ALR2 active site.”
In the MD study led by Luis Loura, potent HIV-inhibitory peptides are found to concentrate near the cell membrane by engaging hydrogen bond contacts with lipids and cholesterol so as to prevent the fusion of HIV envelope with the membrane and increase the antivirial efficacy “Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptidelipid interaction.”

Summary

Introduction

We report dynamics stories for biomolecules of different sizes, from crystal waters near the enzyme active sites, “Implication of crystal water molecules in inhibitor binding at ALR2 active site,” HIV-inhibiting peptides “Molecular dynamics simulation of HIV fusion inhibitor T-1249: insights on peptide-lipid interaction,” V2 vasopressin receptor “Membrane protein stability analyses by means of protein energy profiles in case of nephrogenic diabetes insipidus,” ribosomes “Revealing-1 programmed ribosomal frameshifting mechanisms by single-molecule techniques and computational methods,” to “walking” myosins “Coarse-grained simulation of myosin-V movement.” None of these studies can be made complete with static structures alone.

Results

Conclusion