Engineering antibody-antigen interfaces to improve therapeutic properties
Antibodies (immunoglobulins) are a key component of the mammalian immune response and are increasingly of interest as a means of ...
Antibodies (immunoglobulins) are a key component of the mammalian immune response and are increasingly of interest as a means of ...
Includes splitting a multi-molecule SDF files, quick exploration of ligand properties, rapid calculation of HOMO-LUMO gap of ligands
Includes R-Group Analysis, Hit Expander and the Multi-Layer Perceptron machine learning method for building QSAR models
Published papers; case studies on identifying novel inhibitors and using MD for more biologically-relevant docking experiments
Computational processing of DNA/RNA – protein complexes
An interesting approach to combining deep learning and free energy calculations
For Masters and PhD students, academic research, lecturers and research insight
Fragment-based drug discovery is an evolving area of research with unique challenges in developing the hits into lead molecules. In ...
Ensemble Docking with Molecular Dynamics Proteins in Flare™
"In the next 5–10 years future innovation will be a clever blend of FEP and artificial intelligence"
Introducing Hit Expander and a sneak peek at Flare V6.1; molecular modeling to deliver corporate objectives
A quick, easy and accurate method to explore SAR with confidence