2008 |
15 | EE | Vladimir Hnizdo,
Jun Tan,
Benjamin J. Killian,
Michael K. Gilson:
Efficient calculation of configurational entropy from molecular simulations by combining the mutual-information expansion and nearest-neighbor methods.
Journal of Computational Chemistry 29(10): 1605-1614 (2008) |
2007 |
14 | EE | Tiqing Liu,
Yuhmei Lin,
Xin Wen,
Robert N. Jorissen,
Michael K. Gilson:
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities.
Nucleic Acids Research 35(Database-Issue): 198-201 (2007) |
2006 |
13 | EE | Visvaldas Kairys,
Miguel X. Fernandes,
Michael K. Gilson:
Screening Drug-Like Compounds by Docking to Homology Models: A Systematic Study.
Journal of Chemical Information and Modeling 46(1): 365-379 (2006) |
2005 |
12 | EE | Robert N. Jorissen,
Michael K. Gilson:
Virtual Screening of Molecular Databases Using a Support Vector Machine.
Journal of Chemical Information and Modeling 45(3): 549-561 (2005) |
2004 |
11 | EE | Wei Chen,
Jing Huang,
Michael K. Gilson:
Identification of Symmetries in Molecules and Complexes.
Journal of Chemical Information and Modeling 44(4): 1301-1313 (2004) |
10 | EE | Miguel X. Fernandes,
Visvaldas Kairys,
Michael K. Gilson:
Comparing Ligand Interactions with Multiple Receptors via Serial Docking.
Journal of Chemical Information and Modeling 44(6): 1961-1970 (2004) |
2003 |
9 | EE | Michael K. Gilson,
Hillary S. R. Gilson,
Michael J. Potter:
Fast Assignment of Accurate Partial Atomic Charges: An Electronegativity Equalization Method that Accounts for Alternate Resonance Forms.
Journal of Chemical Information and Computer Sciences 43(6): 1982-1997 (2003) |
8 | EE | Chia-En Chang,
Michael K. Gilson:
Tork: Conformational analysis method for molecules and complexes.
Journal of Computational Chemistry 24(16): 1987-1998 (2003) |
7 | | Jeremy D. Glasner,
Paul Liss,
Guy Plunkett III,
Aaron E. Darling,
Tejasvini Prasad,
Michael Rusch,
Alexis Byrnes,
Michael K. Gilson,
Bryan S. Biehl,
Frederick R. Blattner,
Nicole T. Perna:
ASAP, a systematic annotation package for community analysis of genomes.
Nucleic Acids Research 31(1): 147-151 (2003) |
2002 |
6 | | Xi Chen,
Yuhmei Lin,
Ming Liu,
Michael K. Gilson:
The Binding Database: data management and interface design.
Bioinformatics 18(1): 130-139 (2002) |
5 | EE | Ray Luo,
Laurent David,
Michael K. Gilson:
Accelerated Poisson-Boltzmann calculations for static and dynamic systems.
Journal of Computational Chemistry 23(13): 1244-1253 (2002) |
4 | EE | Visvaldas Kairys,
Michael K. Gilson:
Enhanced docking with the mining minima optimizer: Acceleration and side-chain flexibility.
Journal of Computational Chemistry 23(16): 1656-1670 (2002) |
2001 |
3 | EE | Laurent David,
Ray Luo,
Michael K. Gilson:
Ligand-receptor docking with the Mining Minima optimizer.
Journal of Computer-Aided Molecular Design 15(2): 157-171 (2001) |
2000 |
2 | EE | Laurent David,
Ray Luo,
Michael K. Gilson:
Comparison of generalized born and poisson models: Energetics and dynamics of HIV protease.
Journal of Computational Chemistry 21(4): 295-309 (2000) |
1996 |
1 | EE | Jan Antosiewicz,
James M. Briggs,
Adrian H. Elcock,
Michael K. Gilson,
James Andrew McCammon:
Computing ionization states of proteins with a detailed charge model.
Journal of Computational Chemistry 17(14): 1633-1644 (1996) |