Protein-Protein Docking Software and Services

Protein–protein docking methods can provide an atomistic understanding of:

• nature of interactions between interacting proteins
• spatial configuration adopted by interacting proteins
• strength and specificity of the interacting proteins involved

A prerequisite for protein-protein docking to be successful is that the 3D structure for each of the interacting proteins is available. The structure can be experimentally solved or computed using homologous protein structures. Through access to our full suite of software, industry seasoned computational scientists at Accelrys can collaborate with you on this effort and provide the mission critical solutions you need. You can get this solution through the Contract Research and Scientific Consulting Services offering from Accelrys.

Related Software and Services:

• Discovery Studio Protein Modeling and Sequence Analysis Software can be used to determine the 3D structure for each of the interacting protein in a protein-protein docking experiment; particular modules of interest include:
  • Discovery Studio Protein Docking - predict protein-protein structure interactions and perform rapid rigid body docking with the renowned ZDOCK algorithm
• Discovery Studio Simulation Software can also help in the study of protein-protein docking; particular modules of interest include:
• Discovery Studio CHARMm - industry-standard molecular mechanics and dynamics software program
• Discovery Studio CHARMm Lite - perform in situ ligand minimization using the well-validated CHARMm and CFF forcefields and several minimization algorithms
• Contract Research & Scientific Consulting Services - through access to our full suite of software, the experienced computational scientists at Accelrys can collaborate with you with on your protein-protein docking experiments