2005 |
10 | EE | Wei Zhang,
Tingjun Hou,
Xiaojie Xu:
New Born Radii Deriving Method for Generalized Born Model.
Journal of Chemical Information and Modeling 45(1): 88-93 (2005) |
2004 |
9 | EE | Tingjun Hou,
Ke Xia,
Wei Zhang,
Xiaojie Xu:
ADME Evaluation in Drug Discovery. 4. Prediction of Aqueous Solubility Based on Atom Contribution Approach.
Journal of Chemical Information and Modeling 44(1): 266-275 (2004) |
8 | | Tingjun Hou,
Xiaojie Xu:
ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors [J. Chem. Inf. Comput. Sci. 43, 2137-2152 (2003)]
Journal of Chemical Information and Modeling 44(2): 766-770 (2004) |
7 | EE | Tingjun Hou,
Xiaojie Xu:
ADME Evaluation in Drug Discovery. 2. Prediction of Partition Coefficient by Atom-Additive Approach Based on Atom-Weighted Solvent Accessible Surface Areas [J. Chem. Inf. Comput. Sci. 1058-1067(2003)].
Journal of Chemical Information and Modeling 44(4): 1516 (2004) |
6 | EE | Wei Zhang,
Tingjun Hou,
Xuebin Qiao,
Xiaojie Xu:
Some Basic Data Structures and Algorithms for Chemical Generic Programming.
Journal of Chemical Information and Modeling 44(5): 1571-1575 (2004) |
5 | EE | Tingjun Hou,
Wei Zhang,
Ke Xia,
Xuebin Qiao,
Xiaojie Xu:
ADME Evaluation in Drug Discovery. 5. Correlation of Caco-2 Permeation with Simple Molecular Properties.
Journal of Chemical Information and Modeling 44(5): 1585-1600 (2004) |
2003 |
4 | EE | Tingjun Hou,
Lili Zhu,
Lirong Chen,
Xiaojie Xu:
Mapping the Binding Site of a Large Set of Quinazoline Type EGF-R Inhibitors Using Molecular Field Analyses and Molecular Docking Studies.
Journal of Chemical Information and Computer Sciences 43(1): 273-287 (2003) |
3 | EE | Tingjun Hou,
Xiaojie Xu:
ADME Evaluation in Drug Discovery. 3. Modeling Blood-Brain Barrier Partitioning Using Simple Molecular Descriptors.
Journal of Chemical Information and Computer Sciences 43(6): 2137-2152 (2003) |
2002 |
2 | EE | Xuebin Qiao,
Tingjun Hou,
Wei Zhang,
SenLi Guo,
Xiaojie Xu:
A 3D Structure Database of Components from Chinese Traditional Medicinal Herbs.
Journal of Chemical Information and Computer Sciences 42(3): 481-489 (2002) |
1 | EE | Tingjun Hou,
Wei Zhang,
Xiaojie Xu:
Molecular docking studies of a group of hydroxamate inhibitors with gelatinase-A by molecular dynamics.
Journal of Computer-Aided Molecular Design 16(1): 27-41 (2002) |