Computational Drug Discovery: Molecular Simulation

This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows.

This book presents various computer-aided drug discovery methods for the design and development of ligand and structure-based drug molecules. A wide variety of computational approaches are now being used in various stages of drug discovery and development, as well as in clinical studies. Yet, despite the rapid advances in computer software and hardware, combined with the exponential growth in the available biological information, there are many challenges that still need to be addressed, as this book shows.

The software developer Schrödinger continuously strive to develop scientific solutions that push the boundaries of molecular design and are delighted to share enhanced drug discovery and materials workflows in Schrödinger’s 2024-1 software release.

The software developer Schrödinger continuously strive to develop scientific solutions that push the boundaries of molecular design and are delighted to share enhanced drug discovery and materials workflows in Schrödinger’s 2024-1 software release.

Chemical Computing Group Inc. (CCG) announced the general release of the 2022.02 version of the Molecular Operating Environment (MOE). The 2022.02 release contains new technologies for scFv and Custom Antibody Homology Models, GPU-Acceleration, Hydrogen Mass Repartitioning and also Database Viewer Enhancements.

Chemical Computing Group Inc. (CCG) announced the general release of the 2022.02 version of the Molecular Operating Environment (MOE). The 2022.02 release contains new technologies for scFv and Custom Antibody Homology Models, GPU-Acceleration, Hydrogen Mass Repartitioning and also Database Viewer Enhancements.