Fully Automated and Rapic Flexible Docking of Inhibitors Covalently Bound to Serine Proteases
暂无分享,去创建一个
[1] U. Singh,et al. A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS , 1984 .
[2] F. Allen,et al. The crystallographic information file (CIF) : a new standard archive file for crystallography , 1991 .
[3] Hans-Joachim Böhm,et al. The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure , 1994, J. Comput. Aided Mol. Des..
[4] Irwin D. Kuntz,et al. Automated flexible ligand docking method and its application for database search , 1997 .
[5] David B. Fogel,et al. Evolutionary Computation: Towards a New Philosophy of Machine Intelligence , 1995 .
[6] Gennady M Verkhivker,et al. Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming. , 1995, Chemistry & biology.
[7] I Lasters,et al. Computation of the binding of fully flexible peptides to proteins with flexible side chains , 1997, FASEB journal : official publication of the Federation of American Societies for Experimental Biology.
[8] David A. Matthews,et al. Structure of the Human Cytomegalovirus Protease Catalytic Domain Reveals a Novel Serine Protease Fold and Catalytic Triad , 1996, Cell.
[9] G. Chang,et al. Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics , 1990 .
[10] P Willett,et al. Development and validation of a genetic algorithm for flexible docking. , 1997, Journal of molecular biology.
[11] H. Parge,et al. The Crystal Structure of Hepatitis C Virus NS3 Proteinase Reveals a Trypsin-like Fold and a Structural Zinc Binding Site , 1996, Cell.
[12] J. Thornton,et al. Satisfying hydrogen bonding potential in proteins. , 1994, Journal of molecular biology.
[13] D. Hazuda,et al. Characterization of a soluble stable human cytomegalovirus protease and inhibition by M-site peptide mimics , 1996, Journal of virology.
[14] A. N. Jain,et al. Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites. , 1996, Chemistry & biology.
[15] S. L. Mayo,et al. DREIDING: A generic force field for molecular simulations , 1990 .
[16] V. Lorenzo,et al. ATP Binding to the σ54-Dependent Activator XylRTriggers a Protein Multimerization Cycle Catalyzed by UAS DNA , 1996, Cell.
[17] A. Wlodawer,et al. Structure-based inhibitors of HIV-1 protease. , 1993, Annual review of biochemistry.
[18] S. Freer,et al. Design of enzyme inhibitors using iterative protein crystallographic analysis. , 1991, Journal of medicinal chemistry.
[19] Thomas Lengauer,et al. A fast flexible docking method using an incremental construction algorithm. , 1996, Journal of molecular biology.
[20] I. Kuntz,et al. Structure-Based Molecular Design , 1994 .
[21] R. Babine,et al. MOLECULAR RECOGNITION OF PROTEIN-LIGAND COMPLEXES : APPLICATIONS TO DRUG DESIGN , 1997 .
[22] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1977, Journal of molecular biology.
[23] M. Murcko,et al. Crystal Structure of the Hepatitis C Virus NS3 Protease Domain Complexed with a Synthetic NS4A Cofactor Peptide , 1996, Cell.