30+ Windows-Based AI-Powered Receptor-Based De Novo Drug Design Software

30+ Windows-Based AI-Powered Receptor-Based De Novo Drug Design Software

This comprehensive list features over 30 AI-powered software tools for receptor-based de novo drug design, available on Windows. Find the perfect tool for your research.

1. AutoDock - https://autodock.scripps.edu/
2. AutoDock Vina - http://vina.scripps.edu/
3. MGLTools - http://mgltools.scripps.edu/
4. OpenEye - https://www.eyesopen.com/
5. MOE - https://www.chemcomp.com/
6. Schr￶dinger - https://www.schrodinger.com/
7. GOLD - https://www.ccdc.cam.ac.uk/solutions/csd-discovery/components/gold/
8. Glide - https://www.schrodinger.com/glide
9. Rosetta - https://www.rosettacommons.org/software
10. PyRx - http://pyrx.sourceforge.net/
11. CHARMM - https://www.charmm.org/
12. GROMACS - http://www.gromacs.org/
13. NAMD - https://www.ks.uiuc.edu/Research/namd/
14. AMBER - https://ambermd.org/
15. OpenMM - http://openmm.org/
16. LAMMPS - https://lammps.sandia.gov/
17. VMD - https://www.ks.uiuc.edu/Research/vmd/
18. ChimeraX - https://www.cgl.ucsf.edu/chimerax/
19. Avogadro - https://avogadro.cc/
20. ORCA - https://orcaforum.kofo.mpg.de/
21. Q-Chem - https://www.q-chem.com/
22. Gaussian - https://gaussian.com/
23. GAMESS - http://www.msg.chem.iastate.edu/gamess/
24. NWChem - https://nwchemgit.github.io/
25. Psi4 - http://psicode.org/
26. PyMOL - https://pymol.org/
27. Discovery Studio - https://discover.3ds.com/discovery-studio
28. Molecular Operating Environment (MOE) - https://www.chemcomp.com/
29. YASARA - https://www.yasara.org/
30. Maestro - https://www.schrodinger.com/maestro