Computation of Biomolecular Structures: Achievements, Problems, and Perspectives

Front Matter....Pages I-VIII
Structure Determination from NMR — Application to Crambin....Pages 1-14
From Sequence Similarity to Structural Homology of Proteins....Pages 15-28
Equilibrium Distribution of Secondary Structures for Large RNA....Pages 29-42
Doing Sequence Analysis by Inspecting the Order in which Neural Networks Learn....Pages 43-53
Computational Approaches to Nucleic Acid Structure....Pages 55-63
A New Program for the Analysis of Nucleic Acid Structure: Implications for Nucleic Acid Structure Interpretation....Pages 65-85
Modeling DNA Backbone Structures....Pages 87-97
Serine and Cysteine Proteases and their Natural Inhibitors: Structures and Implications for Function and Drug Design....Pages 99-102
Principles of Protein — Protein Recognition in Protease-Inhibitor and Antigen-Antibody Complexes....Pages 103-114
Subtleties in Designing DNA Sequence Specific Ligands....Pages 115-135
The Structure of DNA Four-Way Junctions....Pages 137-156
Rapid Conformational Investigations of Organic Molecules....Pages 157-163
Dynamics of DNA Oligomers: Harmonic and Anharmonic Motions....Pages 165-199
Surface Boundary Conditions: A Simulation Model for Macromolecules....Pages 201-206
Computation of Ionic Distributions around Charged Biomolecular Structures using the PMF Approach....Pages 207-222
Formal Aspects of the Potential of Mean Force Approach....Pages 223-239
Back Matter....Pages 241-252