2004 |
11 | EE | Guangyu Sun,
Johannes H. Voigt,
Igor V. Filippov,
Victor E. Marquez,
Marc C. Nicklaus:
PROSIT: Pseudo-Rotational Online Service and Interactive Tool, Applied to a Conformational Survey of Nucleosides and Nucleotides.
Journal of Chemical Information and Modeling 44(5): 1752-1762 (2004) |
2003 |
10 | EE | Vladimir Poroikov,
Dmitrii Filimonov,
Wolf-Dietrich Ihlenfeldt,
Tatyana Gloriozova,
Alexey Lagunin,
Yulia V. Borodina,
Alla Stepanchikova,
Marc C. Nicklaus:
PASS Biological Activity Spectrum Predictions in the Enhanced Open NCI Database Browser.
Journal of Chemical Information and Computer Sciences 43(1): 228-236 (2003) |
2002 |
9 | EE | Wolf-Dietrich Ihlenfeldt,
Johannes H. Voigt,
Bruno Bienfait,
Frank Oellien,
Marc C. Nicklaus:
Enhanced CACTVS Browser of the Open NCI Database.
Journal of Chemical Information and Computer Sciences 42(1): 46-57 (2002) |
2001 |
8 | EE | Johannes H. Voigt,
Bruno Bienfait,
Shaomeng Wang,
Marc C. Nicklaus:
Comparison of the NCI Open Database with Seven Large Chemical Structural Databases.
Journal of Chemical Information and Computer Sciences 41(3): 702-712 (2001) |
1998 |
7 | EE | Marc C. Nicklaus,
Robert W. Williams,
Bruno Bienfait,
Eric S. Billings,
Milan Hodoscek:
Computational Chemistry on Commodity-Type Computers.
Journal of Chemical Information and Computer Sciences 38(5): 893-905 (1998) |
1997 |
6 | EE | Marc C. Nicklaus:
Conformational energies calculated by the molecular mechanics program CHARMm.
Journal of Computational Chemistry 18(8): 1056-1060 (1997) |
1996 |
5 | EE | George W. A. Milne,
Shaomeng Wang,
Marc C. Nicklaus:
Molecular Modeling in the Discovery of Drug Leads.
Journal of Chemical Information and Computer Sciences 36(4): 726-730 (1996) |
1994 |
4 | EE | George W. A. Milne,
Marc C. Nicklaus,
John S. Driscoll,
Shaomeng Wang,
Daniel W. Zaharevitz:
National Cancer Institute Drug Information System 3D Database.
Journal of Chemical Information and Computer Sciences 34(5): 1219-1224 (1994) |
1993 |
3 | EE | Marissa A. Hendrickson,
Marc C. Nicklaus,
George W. A. Milne,
Daniel W. Zaharevitz:
CONCORD and CAMBRIDGE: comparison of computer generated chemical structures with x-ray crystallographic data.
Journal of Chemical Information and Computer Sciences 33(1): 155-163 (1993) |
2 | EE | Marc C. Nicklaus,
George W. A. Milne,
Daniel W. Zaharevitz:
Chem-X and CAMBRIDGE. Comparison of computer generated chemical structures with x-ray crystallographic data.
Journal of Chemical Information and Computer Sciences 33(4): 639-646 (1993) |
1992 |
1 | | Marc C. Nicklaus,
George W. A. Milne,
Terrence R. Burke Jr.:
QSAR of conformationally flexible molecules: Comparative molecular field analysis of protein-tyrosine kinase inhibitors.
Journal of Computer-Aided Molecular Design 6(5): 487-504 (1992) |