Glycomaterials Chronicles
Explore curated research chronicles, originating experimental data, spectral analysis, and related open-access publications across carbohydrate materials research.
Coarse-grained molecular dynamics integrated with convolutional neural network for comparing shapes of temperature sensitive bottlebrushes
Protein−Ligand CH−π Interactions: Structural Informatics, Energy Function Development, and Docking Implementation
Development, Validation, and Applications of Nonbonded Interaction Parameters between Coarse-Grained Amino Acid and Water Models
On the use of property-oriented basis sets for the simulation of vibrational chiroptical spectroscopies
Data Driven Discovery of MOFs for Hydrogen Gas Adsorption
Data Driven Computational Design and Experimental Validation of Drugs for Accelerated Mitigation of Pandemic-like Scenarios
Insights into the electronic and structural properties of cellulose and amylose: A comparative force field study
Aggregation of functional groups leads to unexpected lowering of PNIPAM LCST
Development of Transferable Coarse-Grained Lipid Models with Optimized Structural and Elastic Membrane Properties
Binding free energy analysis of galectin‐3 natural ligands and synthetic inhibitors
Experimentally validated inverse design of FeNiCrCoCu MPEAs and unlocking key insights with explainable AI
Is AMOEBA a Good Force Field for Molecular Dynamics Simulations of Carbohydrates?
Are N-linked glycans intrinsically disordered?
