End-point binding free energy calculation with MM/PBSA and MM/GBSA: strategies and applications in drug design
Molecular mechanics Poisson–Boltzmann surface area (MM/PBSA) and molecular
mechanics generalized Born surface area (MM/GBSA) are arguably very popular methods …
mechanics generalized Born surface area (MM/GBSA) are arguably very popular methods …
Nanodiscs in membrane biochemistry and biophysics
Membrane proteins play a most important part in metabolism, signaling, cell motility,
transport, development, and many other biochemical and biophysical processes which …
transport, development, and many other biochemical and biophysical processes which …
Quercetin as an antiviral agent inhibits influenza A virus (IAV) entry
Influenza A viruses (IAVs) cause seasonal pandemics and epidemics with high morbidity
and mortality, which calls for effective anti-IAV agents. The glycoprotein hemagglutinin of …
and mortality, which calls for effective anti-IAV agents. The glycoprotein hemagglutinin of …
Assessing the performance of the MM/PBSA and MM/GBSA methods. 6. Capability to predict protein–protein binding free energies and re-rank binding poses …
Understanding protein–protein interactions (PPIs) is quite important to elucidate crucial
biological processes and even design compounds that interfere with PPIs with …
biological processes and even design compounds that interfere with PPIs with …
[HTML][HTML] MicroScale Thermophoresis: Interaction analysis and beyond
M Jerabek-Willemsen, T André, R Wanner… - Journal of Molecular …, 2014 - Elsevier
MicroScale Thermophoresis (MST) is a powerful technique to quantify biomolecular
interactions. It is based on thermophoresis, the directed movement of molecules in a …
interactions. It is based on thermophoresis, the directed movement of molecules in a …
Biophysics in drug discovery: impact, challenges and opportunities
JP Renaud, C Chung, UH Danielson, U Egner… - Nature reviews Drug …, 2016 - nature.com
Over the past 25 years, biophysical technologies such as X-ray crystallography, nuclear
magnetic resonance spectroscopy, surface plasmon resonance spectroscopy and …
magnetic resonance spectroscopy, surface plasmon resonance spectroscopy and …
The virus-induced cyclic dinucleotide 2′ 3′-c-di-GMP mediates STING-dependent antiviral immunity in Drosophila
H Cai, L Li, KM Slavik, J Huang, T Yin, X Ai, L Hédelin… - Immunity, 2023 - cell.com
In mammals, the enzyme cGAS senses the presence of cytosolic DNA and synthesizes the
cyclic dinucleotide (CDN) 2′ 3′-cGAMP, which triggers STING-dependent immunity. In …
cyclic dinucleotide (CDN) 2′ 3′-cGAMP, which triggers STING-dependent immunity. In …
FDX1 regulates cellular protein lipoylation through direct binding to LIAS
Ferredoxins are a family of iron–sulfur (Fe-S) cluster proteins that serve as essential electron
donors in numerous cellular processes that are conserved through evolution. The …
donors in numerous cellular processes that are conserved through evolution. The …
Understanding the kinetics of protein–nanoparticle corona formation
O Vilanova, JJ Mittag, PM Kelly, S Milani, KA Dawson… - ACS …, 2016 - ACS Publications
When a pristine nanoparticle (NP) encounters a biological fluid, biomolecules
spontaneously form adsorption layers around the NP, called “protein corona”. The corona …
spontaneously form adsorption layers around the NP, called “protein corona”. The corona …
Microglia-secreted galectin-3 acts as a toll-like receptor 4 ligand and contributes to microglial activation
Inflammatory response induced by microglia plays a critical role in the demise of neuronal
populations in neuroinflammatory diseases. Although the role of toll-like receptor 4 (TLR4) in …
populations in neuroinflammatory diseases. Although the role of toll-like receptor 4 (TLR4) in …