Today, promising new protein targets for small molecule drugs are being discovered rapid. With increasing frequency, the 3D structures of these proteins are available or can be modeled from known protein structures. Demand is therefor growing for software to support structure-based discovery of… More

DESCRIPTION (provided by applicant): Discovering a compound that will bind a protein therapeutic target with high affinity, while retaining favorable pharmacological properties, can be a time-consuming and expensive bottleneck in the drug-discovery process. Computational methods can speed this… More

DESCRIPTION (provided by applicant): Discovering a compound that will bind a protein therapeutic target with high affinity, while retaining favorable pharmacological properties, can be a time-consuming and expensive bottleneck in the drug-discovery process. Computational methods can speed this… More

DESCRIPTION (provided by applicant): Many drugs are small molecules that act by binding to a specific protein and thus blocking or altering its actions. For example, the HIV protease inhibitors are important AIDS treatments that work by binding in the acti ve site of the protease enzyme and… More

DESCRIPTION (provided by applicant): Many drugs are small molecules that act by binding to a specific protein and thus blocking or altering its actions. For example, the HIV protease inhibitors are important AIDS treatments that work by binding in the active site of the protease enzyme and… More