Molecular Dimensions特约代理商|MD1-

The Use of Molecular Graphics in Structure-Based Drug Design

The use of 3D structures derived from X-ray crystal data in drug development has increased in recent years. Molecular graphics applications are important tools at the end of the data processing pipeline and provide means to build, refine

Molecular Modeling and Molecular Dynamics Simulations of Membrane Transporter Proteins

and folding that would have been virtually impossible 5–10 yr ago. There are two areas where computational methods have provided significant new insights into protein structure, namely molecular modeling and molecular dynamics (MD) simulations. This chapter

Analysis and Prediction of Protein Quaternary Structure

The quaternary structure (QS) of a protein is determined by measuring its molecular weight in solution. The data have to be extracted from the literature, and they may be missing even for proteins that have a crystal structure reported