QuantumBio’s Lance Westerhoff will give a scientific presentation, “Fast, Routine, Absolute Binding Free Energy Calculations Using MovableType in MOE” at the Chemical Computing Group (CCG)…
In the Artificial Intelligence (AI) section of Genetic Engineering and Biotechnology News April 2023 Edition, science writer MaryAnn Labant highlights computational drug design and cloud…
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…
