RowanPropose an analogue of daraxonrasib with a predicted logP ≤ 3 and aqueous solubility ≥ 10 µM.RowanPredict the binding affinity of imatinib to ABL1 kinase (PDB 1IEP).RowanFind the barrier to the water + hydrogen isocyanate reaction.

Use Rowan in ChatGPT to run and manage computational chemistry and structural biology workflows. Predict molecular properties, search conformers and reaction paths, and calculate energies, structures, spectra, and electronic properties with quantum chemistry. Prepare proteins and run structure prediction, docking, molecular dynamics, and binding affinity workflows. Calculations are saved to Rowan and available in the web app, while existing Rowan work can be viewed and managed from ChatGPT. Track jobs, inspect results, and download supported files.

Rakendus

Rowan