The character of molecular modeling

J Comput Aided Mol Des. 2012 Jan;26(1):103-5. doi: 10.1007/s10822-011-9520-3. Epub 2011 Dec 17.

Abstract

In asking what progress might occur in molecular modeling in the next 25 years it is worth asking what progress has been made in the last twenty-five. In doing so it is hard to be optimistic for the future of the field unless a greater commitment is made to basic science.

MeSH terms

  • Computer-Aided Design / trends*
  • Crystallography / trends
  • Drug Design*
  • Humans
  • Ligands
  • Models, Molecular*
  • Molecular Dynamics Simulation / trends*
  • Protein Binding

Substances

  • Ligands