- Conformational Preference Classification of Integrin-Binding Ligands Using Free Energy Perturbation
2026/04/30 by Martin Vögele, Rezvan Shahoei, Loukas Petridis +5 · 1 voice
Biochemistry, Genetics and Molecular Biology · Computer Science · Medicine · #Binding pocket #Biochemical and Structural Characterization #Cell Adhesion Molecules Research #Cell adhesion #Computational Drug Discovery Methods #Docking (animal) #Free energy perturbation #Hydrogen bond #Integrin #Monomer #Perturbation (astronomy) #Plasma protein binding
- Full-Length Molecular Models of Brain-Derived α-Synuclein Fibrils Reveal a Fuzzy-Coat-Mediated Mechanism for Selective Peptide Binding
2026/04/20 by Carlos Pintado‐Grima, Oriol Bárcenas, Giulio Tesei +3 · 1 voice
Materials Science · Medicine · #Alzheimer's disease research and treatments #Amyloid (mycology) #Amyloid fibril #Fibril #In silico #Mechanism (biology) #Molecular dynamics #Monomer #Parkinson's Disease Mechanisms and Treatments #Peptide #Supramolecular Self-Assembly in Materials
- Ester Formation and Hydrolysis during Wet–Dry Cycles: Generation of Far-from-Equilibrium Polymers in a Model Prebiotic Reaction
2014/02/04 by Irena Mamajanov, Patrick J. MacDonald, Patrick J. Macdonald +9 · 31 citations
Agricultural and Biological Sciences · Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Biopolymer #Chemical engineering #Chemistry #Condensation polymer #Microbial Metabolic Engineering and Bioproduction #Monomer #Organic chemistry #Origins and Evolution of Life #Plant and Biological Electrophysiology Studies #Polymer #Polymer chemistry #Polymerization #Thermodynamic equilibrium #Thermodynamics
- About a Formamide-Based Origin of Informational Polymers: Syntheses of Nucleobases and Favourable Thermodynamic Niches for Early Polymers
2006/11/28 by Raffaele Saladino, Claudia Crestini, Fabiana Ciciriello +2 · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Neuroscience · Physics and Astronomy · #Abiogenesis #Biochemistry #Biology #Chemistry #Combinatorial chemistry #DNA #Formamide #Genetics #Monomer #Nucleic acid #Nucleobase #Organic chemistry #Origins and Evolution of Life #Photoreceptor and optogenetics research #Polymer #Protein Structure and Dynamics