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Vecura
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Updates

Notes from the Vecura team.

Perspectives and deep dives on the models powering AI for life science discovery.

MDTraj is now available on Vecura

Updates

Streamline Molecular Dynamics Analysis with MDTraj on Vecura

This update enables structural biologists and computational chemists to perform high-performance molecular dynamics trajectory analysis directly within Vecura, eliminating the need to set up complex local compute environments for processing protein simulations.

May 12, 2026
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Vecura

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© 2026 NYB AI. All rights reserved.

All systems operational
AF-Cluster is now available on Vecura

Updates

Uncovering Alternative Protein Folds: AF-Cluster is Now Available on Vecura

This integration allows researchers and structural biologists to easily identify and characterize fold-switching proteins through an automated, guided workflow directly within Vecura, eliminating the need for manual, complex technical infrastructure.

May 12, 2026
DeepDDI2 is now available on Vecura

Updates

Enhancing Polypharmacy Safety: DeepDDI2 Now Available on Vecura

This update enables researchers, clinicians, and pharmaceutical developers to perform comprehensive, uncertainty-aware drug-drug interaction screening through a guided workflow inside Vecura, eliminating the need to manage complex, legacy-dependent technical environments.

May 12, 2026
PLAbDab is now available on Vecura

Updates

Unlock Antibody Discovery with PLAbDab on Vecura

This update enables antibody researchers and drug discovery scientists to explore a vast landscape of known antibody sequences and structures through a guided, no-code workflow on Vecura.

May 12, 2026
Legolas is now available on Vecura

Updates

Predict Protein NMR Chemical Shifts Effortlessly with LEGOLAS on Vecura

This integration allows computational biologists and structural researchers to predict NMR chemical shifts and validate protein structures directly through a streamlined Vecura workflow, eliminating the need for complex local infrastructure setup.

May 12, 2026
MMseqs2 is now available on Vecura

Updates

Supercharge Your Sequence Analysis with MMseqs2 on Vecura

This update enables bioinformaticians and researchers to perform ultra-fast sequence searching, clustering, and taxonomic assignment through a guided, high-performance workflow inside Vecura, removing the need to manage complex, resource-heavy infrastructure.

May 12, 2026
Uni-GBSA is now available on Vecura

Updates

Enhance Virtual Screening with Uni-GBSA, Now Available on Vecura

This update enables drug discovery researchers and computational chemists to perform physics-based binding free energy calculations through a guided workflow inside Vecura, eliminating the need to set up complex GROMACS-based technical infrastructure.

May 12, 2026
CoCoGraph is now available on Vecura

Updates

Accelerate Drug Design with CoCoGraph, Now Available on Vecura

This integration empowers medicinal chemists and researchers to perform de novo drug design and scaffold-based lead optimization directly within Vecura, ensuring 100% chemical validity without the need for complex, manual filtering pipelines.

May 12, 2026
MatchMakerApp is now available on Vecura

Updates

Accelerating Cancer Drug Discovery: MatchMakerApp Now Available on Vecura

This update enables drug discovery researchers and cancer biologists to predict drug-combination synergy through a streamlined workflow on Vecura, eliminating the need to set up complex deep-learning infrastructure.

May 12, 2026
ThermoMPNN is now available on Vecura

Updates

Accelerate Protein Stability Engineering with ThermoMPNN on Vecura

This update empowers protein engineers and computational biologists to conduct high-throughput, in silico site-saturation mutagenesis through a streamlined workflow on Vecura, eliminating the need to manage complex computational pipelines or heavy infrastructure.

May 12, 2026
fgsea is now available on Vecura

Updates

Fast Gene Set Enrichment Analysis (fgsea) is now available on Vecura

This update enables bioinformaticians and molecular biologists to perform rapid, high-precision gene set enrichment analysis directly within the Vecura workflow, eliminating the need for manual R environment configuration.

May 12, 2026
OpenFold3 is now available on Vecura

Updates

Advanced Biomolecular Structure Prediction with OpenFold3 on Vecura

This update enables structural biologists and drug discovery researchers to predict complex biomolecular structures through a guided workflow inside Vecura, without setting up complex technical infrastructure.

May 12, 2026