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Kenneth M. Merz Jr.
2010 – today
- 2012
[j14]Mark L. Benson, John C. Faver, Melek N. Ucisik, Danial S. Dashti, Zheng Zheng, Kenneth M. Merz Jr.: Prediction of trypsin/molecular fragment binding affinities by free energy decomposition and empirical scores. Journal of Computer-Aided Molecular Design 26(5): 647-659 (2012)- [j13]Xue Li, Zheng Fu, Kenneth M. Merz Jr.: QM/MM refinement and analysis of protein bound retinoic acid. Journal of Computational Chemistry 33(3): 301-310 (2012)
- [j12]Benjamin P. Roberts, Gustavo de M. Seabra, Adrian E. Roitberg, Kenneth M. Merz Jr., Erik Deumens, Juan Torras, Samuel B. Trickey: Comment on "a minimal implementation of the AMBER-GAUSSIAN interface for Ab Initio QM/MM-MD simulation". Journal of Computational Chemistry 33(19): 1643-1644 (2012)
- 2011
- [j11]Zheng Fu, Xue Li, Kenneth M. Merz Jr.: Accurate assessment of the strain energy in a protein-bound drug using QM/MM X-ray refinement and converged quantum chemistry. Journal of Computational Chemistry 32(12): 2587-2597 (2011)
2000 – 2009
- 2006
- [j10]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
- [j9]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)
- [j8]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
- [j7]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)
- [j6]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)
- [j5]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)
- 2000
- [j4]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)
1990 – 1999
- 1995
- [j3]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)
- [j2]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
- [j1]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)
Coauthor Index
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last updated on 2012-12-02 21:07 CET by the dblp team