drug-molecule Downloads
6 downloads found
Vrms provides the symmetry-corrected root-mean-square deviation (RMSD) between a series of test conformations of a drug-like molecule and a reference conformation. Two modes of operation are available. ...
VCharge provides fast, easy access to accurate partial charges for virtually any drug-like compound. It is thus valuable in a wide range of modeling and QSAR applications. VCharge is available for Linux and Microsoft Windows. A convenient Windows viewer VDisplay is available for free download along with VCharge. Easy access to fast, accurate partial atomic charges of drug-like molecules Valuable ...
The CHARMM General Force Field program generates comprehensive parameters and topology information for a wide range of drug-like molecules, allowing their use in computer-aided drug design campaigns. ...
Simple : CarbonAI searches over 1.9 billion compounds to create synthesizable drug candidates – based only on target sequence. Precise : CarbonAI accurately identifies the most active and safe compound with a multi-objective optimization algorithm. ...
Blow-Fill-Seal (BFS) is a globally-trusted aseptic packaging technology where the pharmaceutical-grade plastic container is made, filled with the drug product, and sealed in a continuous process. BFS is used around the world to package billions of doses of both large and small molecule sterile drug products annually, including vaccines. ...
A repurposed small molecule drug discovered from our SMART-ACT® platform, which has the potential to help develop drugs with well-established safety profiles in a time- and cost-effective ...