A QuantumBio QuickStudy is a concise example, tutorial, or “mini-study” which answers a specific scientific or technical question using QuantumBio methods and tools. The following…
Abstract: For decades, the complicated energy surfaces found in macromolecular, protein:ligand structures, which require large amounts of computational time and resources for energy state sampling,…
Abstract: The rapid development of molecular structural databases provides the chemistry community access to an enormous array of experimental data that can be used to…
Abstract: Obtaining a detailed description of how active site flap motion affects substrate or ligand binding will advance structure-based drug design (SBDD) efforts on systems…
Abstract: The plasticity of active sites plays a significant role in drug recognition and binding, but the accurate incorporation of ‘receptor flexibility’ remains a significant…
