A5026371865- Protein Structure and Dynamics
- Heat shock proteins research
- Microbial Metabolic Engineering and Bioproduction
- Protein purification and stability
- Enzyme Structure and Function
- thermodynamics and calorimetric analyses
- Advanced Electron Microscopy Techniques and Applications
- Computational Drug Discovery Methods
- Advanced NMR Techniques and Applications
- Endoplasmic Reticulum Stress and Disease
- Electron and X-Ray Spectroscopy Techniques
Max Planck Institute of Biophysics
2015-2020
The interaction between the Heat Shock Proteins 70 and 40 is at core of ATPase regulation chaperone machinery that maintains protein homeostasis. However, structural details remain elusive contrasting models have been proposed for transient Hsp70/Hsp40 complexes. Here we combine molecular simulations based on both coarse-grained atomistic with coevolutionary sequence analysis to shed light this problem by focusing bacterial DnaK/DnaJ system. integration these complementary approaches...
Interactions among proteins, nucleic acids, and other macromolecules are essential for their biological functions shape the physicochemcial properties of crowded environments inside living cells. Binding interactions commonly quantified by dissociation constants Kd, both binding nonbinding second osmotic virial coefficients B2. As a measure nonspecific stickiness, B2 is receiving renewed attention in context so-called liquid–liquid phase separation protein acid solutions. We show that Kd...
Abstract The interaction between the Heat Shock Proteins 70 and 40 is at core of ATPase regulation chaperone machinery that maintains protein homeostasis. However, structural details this fundamental are still elusive contrasting models have been proposed for transient Hsp70/Hsp40 complexes. Here we combine molecular simulations based on both coarsegrained atomistic with co-evolutionary sequence analysis to shed light problem by focusing bacterial DnaK/DnaJ system. integration these...
<p><a></a></p><p><a></a>We present simple, accurate, and efficient methods to estimate the dissociation constant K<sub>d </sub>and second osmotic virial coefficient B<sub>2 </sub>from molecular simulations. We show that for simulations of two proteins in a box, </sub>is determined by fraction bound protein. different calculate Monte Carlo dynamics using implicit or explicit solvent. derive surprisingly simple expression...
We present simple, accurate, and efficient methods to estimate the dissociation constant K d second osmotic virial coefficient B 2 from molecular simulations. show that for simulations of two proteins in a box, is determined by fraction bound protein. different calculate Monte Carlo dynamics using implicit or explicit solvent. derive surprisingly simple expression , adding significantly understanding this important quantity. Non-binding interactions other macromolecules shape physicochemical...