SATIS: Atom Typing from Chemical Connectivity
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[1] P. Kollman,et al. An all atom force field for simulations of proteins and nucleic acids , 1986, Journal of computational chemistry.
[2] Robin Taylor,et al. IsoStar: A library of information about nonbonded interactions , 1997, J. Comput. Aided Mol. Des..
[3] P K Warme,et al. A survey of atomic interactions in 21 proteins. , 1978, Journal of molecular biology.
[4] J M Thornton,et al. LIGPLOT: a program to generate schematic diagrams of protein-ligand interactions. , 1995, Protein engineering.
[5] F. Melo,et al. Novel knowledge-based mean force potential at atomic level. , 1997, Journal of molecular biology.
[6] Friedrich Rippmann,et al. BALI: Automatic Assignment of Bond and Atom Types for Protein Ligands in the Brookhaven Protein Databank , 1997, J. Chem. Inf. Comput. Sci..
[7] H. Scheraga,et al. Local structure in ribonuclease A. Effect of amino acid substitutions on the preferential formation of the native disulfide loop in synthetic peptides corresponding to residues Cys58-Cys72 of bovine pancreatic ribonuclease A , 1990 .
[8] Michael F. Lynch,et al. Analysis of structural characteristics of chemical compounds in a large computer-based file. Part II. Atom-centred fragments , 1970 .
[9] R. Venkatesan. The phase problem and its relation to the spin-glass problem , 1991 .
[10] J M Thornton,et al. X-SITE: use of empirically derived atomic packing preferences to identify favourable interaction regions in the binding sites of proteins. , 1996, Journal of molecular biology.
[11] H. Mitchell,et al. A Stable Methyl Phosphane Oxide/Lithium Amide Complex: a Structural and MO Calculational Investigation of the Mechanism of Proton Abstraction by Alkali Metal Reagents† , 1996 .
[12] U. Singh,et al. A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS , 1984 .
[13] Janet M. Thornton,et al. BLEEP—potential of mean force describing protein–ligand interactions: I. Generating potential , 1999 .
[14] Janet M. Thornton,et al. BLEEP - potential of mean force describing protein-ligand interactions: II. Calculation of binding energies and comparison with experimental data , 1999, J. Comput. Chem..
[15] David E. Cane,et al. Biosynthetic origin of the carbon skeleton and oxygen atoms of nargenicin A1 , 1984 .
[16] R. Huber,et al. Accurate Bond and Angle Parameters for X-ray Protein Structure Refinement , 1991 .
[17] G J Williams,et al. The Protein Data Bank: a computer-based archival file for macromolecular structures. , 1978, Archives of biochemistry and biophysics.
[18] Sarah L. Price,et al. A TRANSFERABLE DISTRIBUTED MULTIPOLE MODEL FOR THE ELECTROSTATIC INTERACTIONS OF PEPTIDES AND AMIDES , 1990 .
[19] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[20] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .