Novel protein cage systems can control and visualize orientational changes in aromatic side chains upon ligand binding, as ...

Novel protein cage system can control and visualize orientational changes in aromatic side chains upon ligand binding, as ...

This important study uses advanced computational methods to elucidate how environmental dielectric properties influence the interaction strengths of tyrosine and phenylalanine in biomolecular ...

The work is published in the journal Structural Dynamics ... "We rely solely on initial protein sequences and ligand SMILES strings." SMILES, the Simplified Molecular Input Line Entry System ...

Adhesion dynamics are regulated by complex feedback loops with Rho proteins and a poorly understood reciprocity between Rac and Rho activation that is mediated through the action of guanine ...

Cresset, a leading provider of integrated in silico solutions for small molecule drug discovery announces the release of its ...

In conjunction with molecular dynamics and Monte Carlo simulations, they have enabled the calculation of free energy changes for wide-ranging phenomena including fundamental solution thermodynamics, ...