Product List

Desmond

High-performance molecular dynamics simulations for biomolecular systems

Desmond

Desmond's combined speed and accuracy make possible long time scale molecular dynamics simulations, allowing users to examine events of great biological and pharmaceutical importance. Seamlessly integrated with Maestro, Desmond provides comprehensive setup, simulation, and analysis tools.

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e-Pharmacophores

Energetically optimized structure-based pharmacophores for use in rapid in silico screening

e-Pharmacophores

A novel approach for generating structure-based pharmacophores that unites the speed of pharmacophore screening with the energetic binding terms from Glide XP.

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Epik

Rapid and robust pKa predictions

Epik

Combining the proven reliability of Hammett and Taft methods with powerful tautomerization tools, Epik is the program of choice for accurate enumeration of ligand protonation states in biological conditions.

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Field-Based QSAR

Discover and optimize new lead compounds using quantitative predictions of binding-site chemistry

Field-Based QSAR

Field-Based QSAR opens up new possibilities in ligand-based drug discovery projects. Supplied with an aligned training set of active and inactive compounds, Field-Based QSAR predicts drug activity on the basis of either force fields or Gaussian fields that describe ligand chemistry.

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Glide

A complete solution for ligand-receptor docking

Glide

Glide offers the full spectrum of speed and accuracy from high-throughput virtual screening of millions of compounds to extremely accurate binding mode predictions, providing consistently high enrichment at every level.

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