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[BIOVIA] Computational Chemist

AB

User Experience Value

In Discovery Studio Simulation, users have a new protocol to identify and analyze allosteric binding sites and potential cryptic pockets in previously undruggable targets. Molecular dynamics simulations with NAMD will have accelerated performance on GPU. In Molecular Design, users will be able to see the details of properties for molecular objects in a tabular display. Users will be able to repeatedly and easily select a group of molecular objects that have been previously defined.

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Accelerate research workflows and reduce time-to-market by designing small molecule drug candidates with optimal efficacy and safety profiles.

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Detect and Analyze Pockets, assesses changes in pocket volume by analyzing and identifying transient and static pockets within the protein structure across an input trajectory.

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View and manipulate molecular object properties in the Property Table Panel. Create custom properties.

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NAMD is updated to NAMD 3.0, which supports full GPU-resident functionality.

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