THE BASIC CONCEPTS OF MOLECULAR MODELING
作者： Akansha Saxena , Diana Wong , Karthikeyan Diraviyam , David Sept
DOI: 10.1016/S0076-6879(09)67012-9
关键词: Software 、 Biological studies 、 Data science 、 Molecular model 、 Computer science 、 Computational biology
摘要: Molecular modeling techniques have made significant advances in recent years and are becoming essential components of many chemical, physical biological studies. Here we present three widely used the simulation biomolecular systems: structural homology modeling, molecular dynamics docking. For each these topics a brief discussion underlying scientific basis technique, some simple examples how method is commonly applied, limitations caveats which user should be aware. References for further reading as well an extensive list software resources provided.
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