Molecular recognition in chemical and biological systems
E Persch, O Dumele, F Diederich - … Chemie International Edition, 2015 - Wiley Online Library
Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …
the identification and quantification of weak noncovalent interactions and understanding the …
Mass spectrometry-based protein footprinting for higher-order structure analysis: fundamentals and applications
Proteins adopt different higher-order structures (HOS) to enable their unique biological
functions. Understanding the complexities of protein higher-order structures and dynamics …
functions. Understanding the complexities of protein higher-order structures and dynamics …
ChemOS: An orchestration software to democratize autonomous discovery
The key economic and societal challenges of the 21st century, including clean energy,
global health and sustainability, 1 require the scientific discovery process to be streamlined …
global health and sustainability, 1 require the scientific discovery process to be streamlined …
New insights into the pH dependence of anthocyanin-protein interactions by a case study of cyanidin-3-O-glucoside and bovine serum albumin
Anthocyanins are natural pigments that can undergo structural transformations depending
on pH, and their interactions with proteins have received considerable attention in recent …
on pH, and their interactions with proteins have received considerable attention in recent …
Formation of nanocomplexes comprising whey proteins and fucoxanthin: Characterization, spectroscopic analysis, and molecular docking
J Zhu, X Sun, S Wang, Y Xu, D Wang - Food Hydrocolloids, 2017 - Elsevier
Fully elucidating the protein-ligand interaction mechanisms can help us better construct the
nanocarrier to delivery fucoxanthin. Thus, in this study, the complexes comprising …
nanocarrier to delivery fucoxanthin. Thus, in this study, the complexes comprising …
Quality assessment and optimization of purified protein samples: why and how?
B Raynal, P Lenormand, B Baron, S Hoos… - Microbial cell …, 2014 - Springer
Purified protein quality control is the final and critical check-point of any protein production
process. Unfortunately, it is too often overlooked and performed hastily, resulting in …
process. Unfortunately, it is too often overlooked and performed hastily, resulting in …
[HTML][HTML] Protein corona–from molecular adsorption to physiological complexity
L Treuel, D Docter, M Maskos… - Beilstein journal of …, 2015 - beilstein-journals.org
In biological environments, nanoparticles are enshrouded by a layer of biomolecules,
predominantly proteins, mediating its subsequent interactions with cells. Detecting this …
predominantly proteins, mediating its subsequent interactions with cells. Detecting this …
MD–ligand–receptor: a high-performance computing tool for characterizing ligand–receptor binding interactions in molecular dynamics trajectories
Molecular dynamics simulation is a widely employed computational technique for studying
the dynamic behavior of molecular systems over time. By simulating macromolecular …
the dynamic behavior of molecular systems over time. By simulating macromolecular …
Toward a molecular understanding of nanoparticle–protein interactions
L Treuel, GU Nienhaus - Biophysical reviews, 2012 - Springer
Wherever nanoparticles (NPs) come in contact with a living organism, physical and chemical
interactions take place between the surfaces of the NPs and biomatter, in particular proteins …
interactions take place between the surfaces of the NPs and biomatter, in particular proteins …
Examining the Electrochemical Properties of Hybrid Aqueous/Ionic Liquid Solid Polymer Electrolytes through the Lens of Composition‐Function Relationships
Solid polymer electrolytes (SPEs) have the potential to meet evolving Li‐ion battery
demands, but for these electrolytes to satisfy growing power and energy density …
demands, but for these electrolytes to satisfy growing power and energy density …