Concepedia

3D-QSAR and docking studies of aldehyde inhibitors of human cathepsin K

Xulin Pan, Ning‐Hua Tan, Guang‐Zhi Zeng, Hong‐Jin Han, Huoqiang Huang

Bioorganic & Medicinal Chemistry · 2005 · 20 citations · 19 references

DOI

Concepts

References

19

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Gareth Jones, Peter Willett, Robert C. Glen et al. · Journal of Molecular Biology · 1997 · 6.7K citations

, , +14

LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions

Andrew C. Wallace, Roman A. Laskowski, Janet M. Thornton · Protein Engineering Design and Selection · 1995 · 5.7K citations

, , +14

Improved protein–ligand docking using GOLD

Marcel L. Verdonk, Jason C. Cole, Michael J. Hartshorn et al. · Proteins Structure Function and Bioinformatics · 2003 · 3K citations · Full text

, , +17

Validation of the general purpose tripos 5.2 force field

Matthew Clark, Richard D. Cramer, N. Van Opdenbosch · Journal of Computational Chemistry · 1989 · 2.8K citations

, , +17