2005 |
3 | EE | Jay L. Banks,
Hege S. Beard,
Yixiang X. Cao,
Art E. Cho,
Wolfgang Damm,
Ramy Farid,
Anthony K. Felts,
Thomas A. Halgren,
Daniel T. Mainz,
Jon R. Maple,
Robert B. Murphy,
Dean M. Philipp,
Matthew P. Repasky,
Linda Yu Zhang,
Bruce J. Berne,
Richard A. Friesner,
Emilio Gallicchio,
Ronald M. Levy:
Integrated Modeling Program, Applied Chemical Theory (IMPACT).
Journal of Computational Chemistry 26(16): 1752-1780 (2005) |
2000 |
2 | EE | Robert B. Murphy,
Dean M. Philipp,
Richard A. Friesner:
A mixed quantum mechanics/molecular mechanics (QM/MM) method for large-scale modeling of chemistry in protein environments.
Journal of Computational Chemistry 21(16): 1442-1457 (2000) |
1999 |
1 | EE | Dean M. Philipp,
Richard A. Friesner:
Mixed ab initio QM/MM modeling using frozen orbitals and tests with alanine dipeptide and tetrapeptide.
Journal of Computational Chemistry 20(14): 1468-1494 (1999) |