Crossref journal-article
American Chemical Society (ACS)
Accounts of Chemical Research (316)
Bibliography

Ensing, B., De Vivo, M., Liu, Z., Moore, P., & Klein, M. L. (2005). Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions. Accounts of Chemical Research, 39(2), 73–81.

Authors 5 University of Pennsylvania
  1. Bernd Ensing (first) University of Pennsylvania
  2. Marco De Vivo (additional) University of Pennsylvania
  3. Zhiwei Liu (additional) University of Pennsylvania
  4. Preston Moore (additional) University of Pennsylvania
  5. Michael L. Klein (additional) University of Pennsylvania
References 45 Referenced 347
  1. {'key': 'ar040198ib00001/ar040198ib00001_1', 'volume-title': 'Understanding Molecular Simulation:\u2009 From Algorithms to Applications', 'author': 'Frenkel D.', 'year': '2002', 'edition': '2'} / Understanding Molecular Simulation:  From Algorithms to Applications by Frenkel D. (2002)
  2. 10.1146/annurev.pc.43.100192.002203 / Annu. Rev. Phys. Chem. by Straatsma T. P. (1992)
  3. 10.1063/1.1691018 / J. Chem. Phys. by Peters B. (2004)
  4. {'key': 'ar040198ib00004/ar040198ib00004_1', 'first-page': '1426', 'volume': '22', 'author': 'Zwanzig R. W', 'year': '1954', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Zwanzig R. W (1954)
  5. 10.1016/0021-9991(87)90054-4 / J. Comput. Phys. by Mezei M (1987)
  6. 10.1063/1.437871 / J. Chem. Phys. by Rebertus D. W. (1979)
  7. 10.1016/0010-4655(95)00053-I / Comput. Phys. Commun. by Roux B (1995)
  8. 10.1063/1.1749657 / J. Chem. Phys. by Kirkwood G (1935)
  9. 10.1063/1.1410978 / J. Chem. Phys. by Darve E. (2001)
  10. 10.1006/jcph.1999.6218 / J. Comput. Phys. by Gullingsrud J. R. (1999)
  11. 10.1103/PhysRevLett.78.2690 / Phys. Rev. Lett. by Jarzynski C (1997)
  12. 10.1063/1.472727 / J. Chem. Phys. by Olender R. (1996)
  13. {'issue': '108302', 'key': 'ar040198ib00013/ar040198ib00013_1', 'volume': '87', 'author': 'Passerone D.', 'year': '2001', 'journal-title': 'Phys. Rev. Lett.'} / Phys. Rev. Lett. by Passerone D. (2001)
  14. {'key': 'ar040198ib00014/ar040198ib00014_1', 'first-page': '1977', 'volume': '108', 'author': 'Dellago C.', 'year': '1998', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Dellago C. (1998)
  15. {'key': 'ar040198ib00015/ar040198ib00015_1', 'first-page': '253', 'volume': '267', 'author': 'Berg B. A.', 'year': '1991', 'journal-title': 'Phys. Lett. B'} / Phys. Lett. B by Berg B. A. (1991)
  16. 10.1063/1.481402 / J. Chem. Phys. by Sorensen M. R. (2000)
  17. 10.1063/1.1448491 / J. Chem. Phys. by Rosso L. (2002)
  18. {'key': 'ar040198ib00018/ar040198ib00018_1', 'first-page': '4017', 'volume': '119', 'author': 'He J.', 'year': '2003', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by He J. (2003)
  19. {'key': 'ar040198ib00019/ar040198ib00019_1', 'first-page': '6694', 'volume': '97', 'author': 'Hooft R. W. W.', 'year': '1992', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Hooft R. W. W. (1992)
  20. {'key': 'ar040198ib00020/ar040198ib00020_1', 'first-page': '1462', 'volume': '18', 'author': 'Bartels C.', 'year': '1997', 'journal-title': 'J. Comput. Chem.'} / J. Comput. Chem. by Bartels C. (1997)
  21. 10.1007/BF00124016 / J. Comput.-Aided Mol. Des. by Huber T. (1994)
  22. 10.1103/PhysRevE.52.2893 / Phys. Rev. E by Grubmüller H (1995)
  23. {'key': 'ar040198ib00023/ar040198ib00023_1', 'first-page': '2053', 'volume': '86', 'author': 'Wang F.', 'year': '2001', 'journal-title': 'Phys. Rev. Lett.'} / Phys. Rev. Lett. by Wang F. (2001)
  24. 10.1073/pnas.202427399 / Proc. Natl. Acad. Sci. U.S.A. by Laio A. (2002)
  25. 10.1529/biophysj.103.037283 / Biophys. J. by Ceccarelli M. (2004)
  26. {'key': 'ar040198ib00027/ar040198ib00027_1', 'first-page': '1200', 'volume': '121', 'author': 'Wu Y.', 'year': '2004', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Wu Y. (2004)
  27. 10.1021/ja0445950 / J. Am. Chem. Soc. by Gervasio F. L. (2005)
  28. {'issue': '238302', 'key': 'ar040198ib00029/ar040198ib00029_1', 'volume': '90', 'author': 'Iannuzzi M.', 'year': '2003', 'journal-title': 'Phys. Rev. Lett.'} / Phys. Rev. Lett. by Iannuzzi M. (2003)
  29. 10.1073/pnas.0408094102 / Proc. Natl. Acad. Sci. U.S.A. by Ensing B. (2005)
  30. {'issue': '075503', 'key': 'ar040198ib00031/ar040198ib00031_1', 'volume': '90', 'author': 'Martoñák R.', 'year': '2003', 'journal-title': 'Phys. Rev. Lett.'} / Phys. Rev. Lett. by Martoñák R. (2003)
  31. 10.1021/jp050690z / J. Phys. Chem. B by Donadio D. (2005)
  32. {'issue': '170601', 'key': 'ar040198ib00033/ar040198ib00033_1', 'volume': '92', 'author': 'Micheletti C.', 'year': '2004', 'journal-title': 'Phys. Rev. Lett.'} / Phys. Rev. Lett. by Micheletti C. (2004)
  33. 10.1021/jp045571i / J. Phys. Chem. B by Ensing B. (2005)
  34. 10.1021/jp973084f / J. Phys. Chem. B by MacKerell A. D. (1998)
  35. {'key': 'ar040198ib00036/ar040198ib00036_1', 'volume-title': 'Density-Functional Theory of Atoms and Molecules', 'author': 'Parr R. G.', 'year': '1989'} / Density-Functional Theory of Atoms and Molecules by Parr R. G. (1989)
  36. {'key': 'ar040198ib00037/ar040198ib00037_1', 'first-page': '2474', 'volume': '55', 'author': 'Car R.', 'year': '1985', 'journal-title': 'Phys. Rev. Lett.'} / Phys. Rev. Lett. by Car R. (1985)
  37. 10.1021/ar010018u / Acc. Chem. Res. by Carloni P. (2002)
  38. 10.1021/jp045424k / J. Phys. Chem. B by Laio A. (2005)
  39. {'key': 'ar040198ib00040/ar040198ib00040_1', 'first-page': '163', 'volume': '107', 'author': 'Chandrasekhar J.', 'year': '1985', 'journal-title': 'J. Am. Chem. Soc.'} / J. Am. Chem. Soc. by Chandrasekhar J. (1985)
  40. 10.1021/jp003468x / J. Phys. Chem. A by Ensing B. (2001)
  41. 10.1021/j100188a054 / J. Phys. Chem. by Tobias D. J. (1992)
  42. {'key': 'ar040198ib00043/ar040198ib00043_1', 'first-page': '5579', 'volume': '111', 'author': 'Smith P. E', 'year': '1999', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Smith P. E (1999)
  43. 10.1063/1.477819 / J. Chem. Phys. by Apostolakis J. (1999)
  44. 10.1021/jp045399i / J. Phys. Chem. B by Rosso L. (2005)
  45. {'key': 'ar040198ib00046/ar040198ib00046_1', 'first-page': '1415', 'volume': '25', 'author': 'Mackerell A. D.', 'year': '2004', 'journal-title': 'J. Comput. Chem.'} / J. Comput. Chem. by Mackerell A. D. (2004)
Dates
Type When
Created 19 years, 6 months ago (Feb. 21, 2006, 12:17 a.m.)
Deposited 2 years, 5 months ago (March 15, 2023, 5:13 p.m.)
Indexed 1 day, 4 hours ago (Aug. 21, 2025, 1:10 p.m.)
Issued 19 years, 8 months ago (Nov. 23, 2005)
Published 19 years, 8 months ago (Nov. 23, 2005)
Published Online 19 years, 8 months ago (Nov. 23, 2005)
Published Print 19 years, 6 months ago (Feb. 1, 2006)
Funders 0

None

@article{Ensing_2005, title={Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions}, volume={39}, ISSN={1520-4898}, url={http://dx.doi.org/10.1021/ar040198i}, DOI={10.1021/ar040198i}, number={2}, journal={Accounts of Chemical Research}, publisher={American Chemical Society (ACS)}, author={Ensing, Bernd and De Vivo, Marco and Liu, Zhiwei and Moore, Preston and Klein, Michael L.}, year={2005}, month=nov, pages={73–81} }