2004 |
12 | EE | Xueliang Fang,
Lei Shao,
Hui Zhang,
Shaomeng Wang:
Web-Based Tools for Mining the NCI Databases for Anticancer Drug Discovery.
Journal of Chemical Information and Modeling 44(1): 249-257 (2004) |
11 | EE | Renxiao Wang,
Yipin Lu,
Xueliang Fang,
Shaomeng Wang:
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein-Ligand Complexes.
Journal of Chemical Information and Modeling 44(6): 2114-2125 (2004) |
2002 |
10 | EE | Xueliang Fang,
Shaomeng Wang:
A Web-Based 3D-Database Pharmacophore Searching Tool for Drug Discovery.
Journal of Chemical Information and Computer Sciences 42(2): 192-198 (2002) |
9 | EE | Renxiao Wang,
Luhua Lai,
Shaomeng Wang:
Further development and validation of empirical scoring functions for structure-based binding affinity prediction.
Journal of Computer-Aided Molecular Design 16(1): 11-26 (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) |
7 | EE | Renxiao Wang,
Shaomeng Wang:
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment.
Journal of Chemical Information and Computer Sciences 41(5): 1422-1426 (2001) |
1999 |
6 | EE | Ming Liu,
Shaomeng Wang:
MCDOCK: A Monte Carlo simulation approach to the molecular docking problem.
Journal of Computer-Aided Molecular Design 13(5): 435-451 (1999) |
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 | Gilles Klopman,
Ju-Yun Li,
Shaomeng Wang,
Mario Dimayuga:
Computer Automated log P Calculations Based on an Extended Group Contribution Approach.
Journal of Chemical Information and Computer Sciences 34(4): 752-781 (1994) |
3 | 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) |
2 | EE | Shaomeng Wang,
George W. A. Milne,
Gilles Klopman:
Graph Theory and Group Contributions in the Estimation of Boiling Points.
Journal of Chemical Information and Computer Sciences 34(6): 1242-1250 (1994) |
1992 |
1 | EE | Gilles Klopman,
Shaomeng Wang,
D. M. Balthasar:
Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation.
Journal of Chemical Information and Computer Sciences 32(5): 474-482 (1992) |