Computation of Biomolecular Structures: Achievements, Problems, and Perspectives

The material in the book covers a deliberately wide range of topics concerning the study and modelling of biomolecules (DNA, RNA, Proteins) using computer techniques. Methods for structure determination and predictions, the analysis of structure-sequence databases and the computer based design of molecules are presented along with approaches for modeling the dynamic behavior of biomolecules and treating complex solvent effects on their structure in solution. Several specific system applications illustrate what can be presently achieved. The reader can obtain a good feeling of what is happening in a very active research area at the intersection of molecular biology, physical chemistry and computer science, and obtain valuable information not otherwise easily accessible due to its very diversified interdisciplinary character.