2006 |
10 | EE | Guillermina Estiu,
Dimas Suárez,
Kenneth M. Merz Jr.:
Quantum mechanical and molecular dynamics simulations of ureases and Zn beta-lactamases.
Journal of Computational Chemistry 27(12): 1240-1262 (2006) |
2005 |
9 | EE | Steven L. Dixon,
Kenneth M. Merz Jr.,
Giorgio Lauri,
James C. Ianni:
QMQSAR: Utilization of a semiempirical probe potential in a field-based QSAR method.
Journal of Computational Chemistry 26(1): 23-34 (2005) |
8 | 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) |
2002 |
7 | EE | Ailan Cheng,
David J. Diller,
Steven L. Dixon,
William J. Egan,
George Lauri,
Kenneth M. Merz Jr.:
Computation of the physio-chemical properties and data mining of large molecular collections.
Journal of Computational Chemistry 23(1): 172-183 (2002) |
6 | EE | Dimas Suárez,
Natalia Díaz,
Kenneth M. Merz Jr.:
Molecular dynamics simulations of the dinuclear zinc--lactamase from Bacteroides fragilis complexed with imipenem.
Journal of Computational Chemistry 23(16): 1587-1600 (2002) |
5 | EE | David J. Diller,
Kenneth M. Merz Jr.:
Can we separate active from inactive conformations?
Journal of Computer-Aided Molecular Design 16(2): 105-112 (2002) |
2000 |
4 | EE | Arjan van der Vaart,
Valentin Gogonea,
Steven L. Dixon,
Kenneth M. Merz Jr.:
Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method.
Journal of Computational Chemistry 21(16): 1494-1504 (2000) |
1995 |
3 | | Robert V. Stanton,
David S. Hartsough,
Kenneth M. Merz Jr.:
An Examination of a Density Functional/Molecular Mechanical Coupled Potential.
Journal of Computational Chemistry 16(1): 113-128 (1995) |
2 | | James J. Vincent,
Kenneth M. Merz Jr.:
A Highly Portable Parallel Implementation of AMBER4 Using the Message Passing Interface Standart.
Journal of Computational Chemistry 16(11): 1420-1427 (1995) |
1994 |
1 | | Timothy M. Glennon,
Ya-Jun Zheng,
Scott M. Le Grand,
Brad A. Shutzberg,
Kenneth M. Merz Jr.:
A Force Field for Monosaccharides and (1->4) Linked Polysaccharides.
Journal of Computational Chemistry 15(9): 1019-1040 (1994) |