In Silico & Computational Chemistry

Overview

We support computational research across molecular preparation, receptor and ligand inspection, docking, virtual screening, physicochemical descriptors, ADMET assessment, molecular dynamics, trajectory analysis, and bioinformatics. We also develop custom research software and workflow automation. Methods and outputs are selected for the research question, with assumptions, input provenance, and computational settings made explicit. Computational predictions guide further investigation and do not replace experimental validation.