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More info about Life Chemicals Inc.

Computational Chemistry Services

Life Chemicals Inc.

Life Chemicals offers broad spectrum of computational chemistry services based on miscellaneous in silico methods supported by advanced specialised software:

Sybyl-X 2.1
Schrodinger Maestro/Glide/LigPrep/Macromodel
Python scripting for calculation of descriptors
Visualizers (DS, Marvin View/Sketch)

Standard Services

  • Custom filtering (toxic, reactive, specified groups, PAINS)
  • Similarity search (Tanimoto/Cosine coefficient)
  • Dissimilarity search
  • Substructure search
  • Molecular descriptors calculation

Protein modeling

  • Homology modeling
  • Geometry optimization
  • Structure assessment
  • Molecular dynamic

Screening/docking methods

  • Flexible docking: Surflex-dock, Surflex-sim, Glide
  • In silico screening search: UNITY model, GALAHAD, 3DQSAR
Quick Contact Computational Chemistry Services