Computation of Biomolecular Structures: Achievements, Problems, and PerspectivesDikeos Mario Soumpasis, Thomas M. Jovin |
Contents
Structure Analysis and Prediction | 1 |
Specific Systems | 99 |
Physical Chemistry and Dynamics | 157 |
Copyright | |
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Acad Sci USA algorithm analysis anharmonic approximation atoms average B-DNA backbone structure base pair base sequence binding Biomol biomolecular Biopolymers Bode calculated Cartesian chain complexes computational conformation coordinate frame correlation crambin crystal structure cumulative density curve database defined Diekmann distance distribution DMJ Lilley DNA Four-Way Junctions DNA oligomers double helical electrostatic EMBO entropy equation exchanging strands experimental Figure free energy geometry global helical helical axis helix homology homology threshold Huber hydrogen bonds inhibitor interactions interface areas ionic Kitzing ligand lysozyme macromolecule matrix method minor groove Mol Biol molecular dynamics molecule Monte Carlo Natl Acad Sci nucleic acid Nucleic Acid Structure oligomers optimisation parameters partition function PMF's potential energy power law Proc Natl Acad protein structures residues rotations secondary structure sequence similarity simulation solvent Soumpasis specific stacked stem tertiary structure thermodynamic trajectory values vector vibrational vinylexin