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[BIOVIA] Computational Structural Biologist

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User Experience Value

In Discovery Studio Simulation, users will have accelerated multiple sequence alignments (MSA) construction leading to faster structure prediction workflows. Users can design protein binders by simultaneously generating the protein's 3D atomic structure and amino acid sequence in a single unified process with NVIDIA’s Proteina-Complexa AI model. Users will be able to select from a broader range of force fields, including Amber, for OpenMM simulations.

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Design protein binders with NVIDIA’s Proteina-Complexa AI model, or re-design a binder using BoltzGen

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Accelerated multiple sequence alignments (MSA) in the Predict Protein Structures (Co-folding) protocol uses NVIDIA NIM technology

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Amber forcefields available to prepare systems, ready for OpenMM simulation protocols.

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