AAGCAGGTTGTTAGGCACTGGTGTCTAAAATTTGGTCAAATTTTAGACACCATGAGCAATAGCACATTATCAACTGTGATCATTTAATTATCTCTTGTTCTCCCTAGCTACATTTTCTGCCTGTTGTCATAAAGATTAAG
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Contract Research & Development for the Life Sciences

Contract Research & Development
for the Life Science Industries


METHODOLOGY

  • Concept generation by model building

  • Quantum chemistry
  • Molecular mechanical force fields
  • Bioinformatics
  • Systems biology assessment

Biotin bound by streptavidin (from RCSB PDB-ID: 3RY2).

Biotin bound by streptavidin, one of the most stable complexes of biomolecules (from RCSB PDB-ID: 3RY2). The CONDOR software system can evaluate binding energies and entropy contributions of macromolecular complexes with good precision based on an oscillator coupling model.
 

Signal transduction pathways (source: http://en.wikipedia.org/wiki/File:Signal_transduction_v1.png author: cybertory)

Signal transduction pathways

  • Simulation of structural time evolution under perturbation

  • Structural stability assessment
  1. Molecular dynamics simulation
  2. Monte Carlo phase-space sampling
  • Prediction of molecular recognition
  1. Energetic and entropic compatibility assessment

 

RCSB PDB-ID: 1IGT
RCSB PDB-ID: 1IGT

  • Simulation of kinetic time evolution under perturbation

  • Kinetic system modeling
  • System response analysis

Drug plasma levels resulting from repeated iv-injections.

Drug plasma levels resulting from repeated iv-injections.

Release of a drug from a drug delivery system by a surface erosion mechnism.

Release of a drug from a drug delivery system by a surface erosion mechanism.