Concepedia

Ensemble-based virtual screening reveals dual-inhibitors for the p53–MDM2/MDMX interactions

Khaled Barakat, Jonathan Y. Mane, Douglas E. Friesen, Jack A. Tuszyński

Journal of Molecular Graphics and Modelling · 2009 · 64 citations · 49 references

DOI

Concepts

References

49

Development and testing of a general amber force field

Junmei Wang, Romain M. Wolf, James W. Caldwell et al. · Journal of Computational Chemistry · 2004 · 19.6K citations

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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function

Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.8K citations

, , +17

The Amber biomolecular simulation programs

David A. Case, Thomas E. Cheatham, Tom Darden et al. · Journal of Computational Chemistry · 2005 · 9.6K citations · Full text

, , +17

A Cluster Separation Measure

David L. Davies, Donald W. Bouldin · IEEE Transactions on Pattern Analysis and Machine Intelligence · 1979 · 8.8K citations

, , +12

Comparison of multiple Amber force fields and development of improved protein backbone parameters

Viktor Horn̆ák, Robert Abel, Asim Okur et al. · Proteins Structure Function and Bioinformatics · 2006 · 7.1K citations · Full text

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