A5063118177- Lipid Membrane Structure and Behavior
- Protein Structure and Dynamics
- Computational Drug Discovery Methods
- RNA and protein synthesis mechanisms
- Mass Spectrometry Techniques and Applications
- Nicotinic Acetylcholine Receptors Study
- Protein Interaction Studies and Fluorescence Analysis
- Electrochemical Analysis and Applications
- Enzyme Structure and Function
- SARS-CoV-2 detection and testing
- Nanopore and Nanochannel Transport Studies
- Gold and Silver Nanoparticles Synthesis and Applications
- Metabolomics and Mass Spectrometry Studies
- Microbial Metabolic Engineering and Bioproduction
- Machine Learning in Materials Science
- Biosensors and Analytical Detection
- Advanced Proteomics Techniques and Applications
- Particle Accelerators and Free-Electron Lasers
- Spectroscopy and Quantum Chemical Studies
- Advanced biosensing and bioanalysis techniques
- Bioinformatics and Genomic Networks
- Machine Learning in Bioinformatics
- Electron and X-Ray Spectroscopy Techniques
- Metal complexes synthesis and properties
- Glycosylation and Glycoproteins Research
Rutgers, The State University of New Jersey
2022-2024
Pentameric ligand-gated ion channels (pLGICs) mediate synaptic transmission and are sensitive to their lipid environment. The mechanism of phospholipid modulation any pLGIC is not well understood. We demonstrate that the model pLGIC, ELIC (Erwinia channel), positively modulated by anionic phospholipid, phosphatidylglycerol, from outer leaflet membrane. To explore phosphatidylglycerol modulation, we determine a structure in an open-channel conformation. shows bound site, structural changes...
ABSTRACT Motivation Clusters of hydrophobic residues are known to promote structured protein stability and drive aggregation. Recent work has shown that identifying contiguous residue clusters (termed “blobs”) proven useful in both intrinsically disordered (IDP) simulation human genome studies. However, a graphical interface was unavailable. Results Here, we present the blobulator: an interactive intuitive web detect intrinsic modularity any sequence based on hydrophobicity. We demonstrate...
Abstract Free Energy Perturbation (FEP) is a powerful but challenging computational technique for estimating differences in free energy between two or more states. This document intended both as tutorial and an adaptable protocol computing energies of binding using perturbations NAMD. We present the Streamlined Alchemical (SAFEP) framework. SAFEP shifts frame reference from ligand to site itself. simplifies thermodynamic cycle makes approach broadly applicable superficial sites other less...
ABSTRACT Pentameric ligand-gated ion channels (pLGICs) mediate synaptic transmission and are sensitive to their lipid environment. The mechanism of phospholipid modulation any pLGIC is not well understood. We demonstrate that the model pLGIC, ELIC ( Erwinia channel), positively modulated by anionic phospholipid, phosphatidylglycerol, from outer leaflet membrane. To elucidate phosphatidylglycerol modulation, we determine a structure in an open conformation. shows bound site, conformational...