An automated approach for generation of virtual mutants and virtual screening for new catalytic activities is presented. This approach would like to be complementary and integrate theoretical approaches by designing a framework embracing different computational methods, such as docking and molecular dynamics, QM-QM/MM methods and QSAR optimization strategies.
This presentation covers: Medical Physics and Radiotherapy, Geant4 - open source simulation toolkit, modeFRONTIER and Geant4 - a software integration and result
The new VOLTA and modeFRONTIER Release 2019 winter is now available. You can now enjoy an even more intuitive optimization … Continue reading VOLTA and modeFRONTIER Release 2019 | Winter now available
nTopology shows you how to create reusable and automated design workflows to augment your Multidisciplinary Design Optimization processes in modeFRONTIER. He uses topology optimization as an example and shares tips on how to prepare your nTop workflows for automation.