Derivation of sensitive discrimination potential for virtual ligand screening
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[1] F E Cohen,et al. Modeling protein-ligand complexes. , 1996, Current opinion in structural biology.
[2] Ruben Abagyan,et al. ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation , 1994, J. Comput. Chem..
[3] R. Abagyan,et al. Biased probability Monte Carlo conformational searches and electrostatic calculations for peptides and proteins. , 1994, Journal of molecular biology.
[4] William H. Press,et al. Numerical recipes in C. The art of scientific computing , 1987 .
[5] J A McCammon,et al. Combined conformational search and finite-difference Poisson-Boltzmann approach for flexible docking. Application to an operator mutation in the lambda repressor-operator complex. , 1994, Journal of molecular biology.
[6] S Vajda,et al. Flexible docking and design. , 1995, Annual review of biophysics and biomolecular structure.
[7] S. Sriharan,et al. The fast multipole boundary element method for molecular electrostatics: An optimal approach for large systems , 1995, J. Comput. Chem..
[8] Brian K. Shoichet,et al. Molecular docking using shape descriptors , 1992 .
[9] R Abagyan,et al. Flexible protein–ligand docking by global energy optimization in internal coordinates , 1997, Proteins.
[10] Thomas Lengauer,et al. Computational methods for biomolecular docking. , 1996, Current opinion in structural biology.
[11] T. Halgren. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94 , 1996, J. Comput. Chem..
[12] Robert P. Sheridan,et al. FLOG: A system to select ‘quasi-flexible’ ligands complementary to a receptor of known three-dimensional structure , 1994, J. Comput. Aided Mol. Des..
[13] F. A. Seiler,et al. Numerical Recipes in C: The Art of Scientific Computing , 1989 .
[14] H. Berendsen,et al. The electric potential of a macromolecule in a solvent: A fundamental approach , 1991 .
[15] M J Sternberg,et al. A continuum model for protein-protein interactions: application to the docking problem. , 1995, Journal of molecular biology.
[16] J. Briggs,et al. Structure-based drug design: computational advances. , 1997, Annual review of pharmacology and toxicology.
[17] J. Janin,et al. Protein-protein recognition. , 1995, Progress in biophysics and molecular biology.
[18] H. Scheraga,et al. Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids , 1975 .
[19] I. Kuntz,et al. Structure-based discovery of inhibitors of thymidylate synthase. , 1993, Science.