Discovery Studio

{{Prose|date=May 2024}}

Discovery Studio is a suite of software for simulating small molecule and macromolecule systems. It is developed and distributed by Dassault Systemes BIOVIA{{Cite web|url=https://www.3ds.com/products/biovia|title=BIOVIA|date=August 11, 2023|website=Dassault Systèmes}} (formerly Accelrys).

The product suite has a strong academic collaboration programme,{{Cite web|url=http://accelrys.com/innovation/academic-collaborator-program/|archiveurl=https://web.archive.org/web/20111125063145/http://accelrys.com/innovation/academic-collaborator-program/|url-status=dead|title=List of key Accelrys academic collaborators|archivedate=November 25, 2011|website=accelrys.com}} supporting scientific research and makes use of a number of software algorithms developed originally in the scientific community, including CHARMM,{{cite journal | last1=Brooks | first1=B. R. | last2=Brooks | first2=C. L. | last3=Mackerell | first3=A. D. | last4=Nilsson | first4=L. | last5=Petrella | first5=R. J. | last6=Roux | first6=B. | last7=Won | first7=Y. | last8=Archontis | first8=G. | last9=Bartels | first9=C. | last10=Boresch | first10=S. | last11=Caflisch | first11=A. | last12=Caves | first12=L. | last13=Cui | first13=Q. | last14=Dinner | first14=A. 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M. | last35=Karplus | first35=M. | title=CHARMM: The biomolecular simulation program | journal=Journal of Computational Chemistry | volume=30 | issue=10 | date=2009-07-30 | issn=0192-8651 | pmid=19444816 | pmc=2810661 | doi=10.1002/jcc.21287 | doi-access=free | pages=1545–1614 | url=http://deepblue.lib.umich.edu/bitstream/2027.42/63074/1/21287_ftp.pdf }} MODELLER,{{cite journal | last1=Webb | first1=Benjamin | last2=Sali | first2=Andrej | title=Comparative Protein Structure Modeling Using MODELLER | journal=Current Protocols in Bioinformatics | volume=54 | issue=1 | date=2016 | issn=1934-3396 | pmid=27322406 | pmc=5031415 | doi=10.1002/cpbi.3 | doi-access=free |at= Supplement 15, 5.6.1-5.6.30}} DELPHI,{{cite journal | last1=Rocchia | first1=W. | last2=Alexov | first2=E. | last3=Honig | first3=B. | title=Extending the Applicability of the Nonlinear Poisson−Boltzmann Equation: Multiple Dielectric Constants and Multivalent Ions | journal=The Journal of Physical Chemistry B | volume=105 | issue=28 | date=2001-07-01 | issn=1520-6106 | doi=10.1021/jp010454y | pages=6507–6514 | url=https://pubs.acs.org/doi/10.1021/jp010454y | url-access=subscription }} ZDOCK,{{cite journal | last1=Chen | first1=Rong | last2=Li | first2=Li | last3=Weng | first3=Zhiping | title=ZDOCK: An initial-stage protein-docking algorithm | journal=Proteins: Structure, Function, and Bioinformatics | volume=52 | issue=1 | date=2003 | issn=0887-3585 | doi=10.1002/prot.10389 | pages=80–87 | pmid=12784371 | url=https://onlinelibrary.wiley.com/doi/10.1002/prot.10389 | url-access=subscription }} DMol3{{cite journal | last1=Matsuzawa | first1=Nobuyuki | last2=Seto | first2=Jun'etsu | last3=Dixon | first3=David A. | title=Density Functional Theory Predictions of Second-Order Hyperpolarizabilities of Metallocenes | journal=The Journal of Physical Chemistry A | volume=101 | issue=49 | date=1997-12-01 | issn=1089-5639 | doi=10.1021/jp952465v | pages=9391–9398 | bibcode=1997JPCA..101.9391M | url=https://pubs.acs.org/doi/10.1021/jp952465v | url-access=subscription }}{{multiref2|{{cite journal | last=Delley | first=B. | title=An all-electron numerical method for solving the local density functional for polyatomic molecules | journal=The Journal of Chemical Physics | publisher=AIP Publishing | volume=92 | issue=1 | date=1990-01-01 | issn=0021-9606 | doi=10.1063/1.458452 | doi-access=free | pages=508–517 | bibcode=1990JChPh..92..508D | url=https://www.dora.lib4ri.ch/psi/islandora/object/psi%3A58936/datastream/PDF/Delley-1990-An_all-electron_numerical_method_for-%28published_version%29.pdf }}| {{cite journal | last=Delley | first=B. | title=Analytic energy derivatives in the numerical local-density-functional approach | journal=The Journal of Chemical Physics | publisher=AIP Publishing | volume=94 | issue=11 | date=1991-06-01 | issn=0021-9606 | doi=10.1063/1.460208 | doi-access=free | pages=7245–7250 | bibcode=1991JChPh..94.7245D | url=https://www.dora.lib4ri.ch/psi/islandora/object/psi%3A58947/datastream/PDF/Delley-1991-Analytic_energy_derivatives_in_the-%28published_version%29.pdf }}| {{cite journal | last=Delley | first=B. | title=From molecules to solids with the DMol3 approach | journal=The Journal of Chemical Physics | publisher=AIP Publishing | volume=113 | issue=18 | date=2000-11-08 | issn=0021-9606 | doi=10.1063/1.1316015 | doi-access=free | pages=7756–7764 | url=https://www.dora.lib4ri.ch/psi/islandora/object/psi%3A58939/datastream/PDF/Delley-2000-From_molecules_to_solids_with-%28published_version%29.pdf }}}} and more.