Cloud-ready simulation framework enables capture of molecular binding pathways

Researchers at the Center for Computational Sciences, University of Tsukuba, have developed an accessible platform to overcome the limitations of conventional static docking simulations, offering new ...

Decoy Therapeutics, Inc: Decoy Therapeutics Enters Strategic Partnership with Quantori to Deploy Google Cloud-native Integrated AI-Driven Peptide Design and Molecular ...

Partnership supported by funding from Google Cloud will increase Decoy's computational peptide design bandwidth by 25-100x CAMBRIDGE, Mass. and HOUSTON, March 11, ...
The Malaysian Reserve

Decoy Therapeutics Enters Strategic Partnership with Quantori to Deploy Google Cloud-native Integrated AI-Driven Peptide Design and Molecular Simulation Platform

Partnership supported by funding from Google Cloud will increase Decoy's computational peptide design bandwidth by 25-100xCAMBRIDGE, Mass. and HOUSTON, ...
eLife

Protein-induced membrane strain drives supercomplex formation

Respiratory supercomplex formation relieves molecular strain of mitochondrial membranes and reshapes global protein motions, linking membrane reorganization to respiratory function.
BioSpace

AI unlocks unparalleled efficiency gains in Flare™ V11, Cresset’s leading software solution for digital molecular discovery

10 December 2025 - Cambridge, UK; Cresset, a leading provider of digital molecular discovery solutions that combine cutting-edge science with AI/ML, announces the latest release of their flagship CADD ...
C&EN

Aggregation of Intrinsically Fluorescent Proteins: Combining Coarse-Grained Molecular Dynamics with Alphafold Predictions

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. This work is organized into a methodological section, already ...
Frontiers

Molecular docking and dynamics in protein serine/threonine kinase drug discovery: advances, challenges, and future perspectives

Protein serine/threonine kinases (STKs) regulate critical signaling pathways involved in cell growth, proliferation, metabolism, and apoptosis. Aberrant kinase activity is implicated in diverse human ...
C&EN

A Multiscale Simulation Approach to Compute Protein–Ligand Association Rate Constants by Combining Brownian Dynamics and Molecular Dynamics

Article subjects are automatically applied from the ACS Subject Taxonomy and describe the scientific concepts and themes of the article. Beyond these BD–MD hybrid strategies, Dibak et al. (22) ...