Discovery Studio is a suite of software for simulating small molecule and macromolecule systems. It is developed and distributed by Dassault Systemes BIOVIA (formerly Accelrys).

The product suite has a strong academic collaboration programme, supporting scientific research and makes use of a number of software algorithms developed originally in the scientific community, including CHARMM,[1] MODELLER,[2] DELPHI,[3] ZDOCK,[4] DMol3[5][6] and more.


Discovery Studio provides software applications covering the following areas:

See also

Recent News Articles


  1. ^ Brooks B. R., Brooks III C. L., Mackerell A. D., Nilsson L., Petrella R. J., Roux B., Won Y., Archontis G., Bartels C., Boresch S., Caflisch A., Caves L., Cui Q., Dinner A. R., Feig M., Fischer S., Gao J., Hodoscek M., Im W., Kuczera K., Lazaridis T., Ma J., Ovchinnikov V., Paci E., Pastor R. W., Post C. B., Pu J. Z., Schaefer M., Tidor B., Venable R. M., Woodcock H. L., Wu X., Yang W., York D. M. and Karplus M. CHARMM: The Biomolecular simulation Program, J. Comput. Chem. 2009, 30, 1545-1615.
  2. ^ Eswar N., Marti-Renom M.A., Webb B., Madhusudhan M.S., Eramian D., Shen M., Pieper U., Sali A. Comparative Protein Structure Modeling With MODELLER. Current Protocols in Bioinformatics, John Wiley & Sons, Inc., 2006, Supplement 15, 5.6.1-5.6.30.
  3. ^ W.Rocchia, E.Alexov, and B.Honig. Extending the Applicability of the Nonlinear Poisson-Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions. J. Phys. Chem. B, 2001, 105, 6507-6514.
  4. ^ Chen R., Weng Z. ZDOCK: An Initial-stage Protein-Docking Algorithm. Proteins 2003, 52, 80-87.
  5. ^ Matsuzawa N., Seto J., DixonD. A., J. Phys. Chem. A, 1997, 101, 9391.
  6. ^ Delley Bi, J. Chem. Phys., 1990, 92, 508; ibid, 1991, 94, 7245; ibid, 2000, 7756.
  7. ^ Sutter A., Jiabo L., Maynard A.J., Goupil A., Luu T., Katalin N., New Features that Improve the Pharmacophore Tools from Accelrys
  8. ^ Luu T., Malcolm N., Nadassy K., Pharmacophore Modeling Methods in Focused Library Selection -Applications in the Context of a New Classification Scheme, Comb. Chem. & High Thr. Screening, 2011, 14(6), pp. 488-499(12)
  9. ^ Haider M.K., Bertrand H.-O., Hubbard R.E., Predicting Fragment Binding Poses Using a Combined MCSS MM-GBSA Approach, J. Chem. Inf. Model., 2011, 51 (5), pp 1092–1105
  10. ^ Corradia V., Mancinib M, Santuccib M.A., Carlomagnoc T., Sanfelicec D., Moria M., Vignarolia G., Falchia F., Manettia F., Radia M., Botta M., Computational techniques are valuable tools for the discovery of protein–protein interaction inhibitors: The 14-3-3σ case
  11. ^ Almagro J.C., Beavers M.P., Hernandez-Guzman F., Maier J., Shaulsky J., Butenhof K., Labute P., Thorsteinson N., Kelly K., Teplyakov A., Luo J., Sweet R., Gilliland G.L., Antibody modeling assessment, Proteins: Structure, Function, and Bioinformatics, 2011, 79(11), pages 3050–3066.