2008 |
11 | EE | Ross C. Walker,
Michael F. Crowley,
David A. Case:
The implementation of a fast and accurate QM/MM potential method in Amber.
Journal of Computational Chemistry 29(7): 1019-1031 (2008) |
2006 |
10 | EE | Russell A. Brown,
David A. Case:
Second derivatives in generalized Born theory.
Journal of Computational Chemistry 27(14): 1662-1675 (2006) |
9 | EE | Seongho Moon,
David A. Case:
A comparison of quantum chemical models for calculating NMR shielding parameters in peptides: Mixed basis set and ONIOM methods combined with a complete basis set extrapolation.
Journal of Computational Chemistry 27(7): 825-836 (2006) |
2005 |
8 | | David A. Case:
Invited Talk: Macromolecular Simulations Using Continuum Solvent Models.
German Conference on Bioinformatics 2005: 145-146 |
7 | EE | Junmei Wang,
Romain M. Wolf,
James W. Caldwell,
Peter A. Kollman,
David A. Case:
Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field" Journal of Computational Chemistry(2004) 25(9) 1157-1174.
Journal of Computational Chemistry 26(1): 114- (2005) |
6 | EE | David A. Case,
Thomas E. Cheatham III,
Tom Darden,
Holger Gohlke,
Ray Luo,
Kenneth M. Merz Jr.,
Alexey Onufriev,
Carlos Simmerling,
Bing Wang,
Robert J. Woods:
The Amber biomolecular simulation programs.
Journal of Computational Chemistry 26(16): 1668-1688 (2005) |
2004 |
5 | EE | Holger Gohlke,
David A. Case:
Converging free energy estimates: MM-PB(GB)SA studies on the protein-protein complex Ras-Raf.
Journal of Computational Chemistry 25(2): 238-250 (2004) |
4 | EE | Michael Feig,
Alexey Onufriev,
Michael S. Lee,
Wonpil Im,
David A. Case,
Charles L. Brooks III:
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures.
Journal of Computational Chemistry 25(2): 265-284 (2004) |
3 | EE | Junmei Wang,
Romain M. Wolf,
James W. Caldwell,
Peter A. Kollman,
David A. Case:
Development and testing of a general amber force field.
Journal of Computational Chemistry 25(9): 1157-1174 (2004) |
2002 |
2 | EE | Alexey Onufriev,
David A. Case,
Donald Bashford:
Effective Born radii in the generalized Born approximation: The importance of being perfect.
Journal of Computational Chemistry 23(14): 1297-1304 (2002) |
1993 |
1 | | David A. Case:
Computer Simulations of Protein Dynamics and Thermodynamics.
IEEE Computer 26(10): 47-57 (1993) |