BIOVIA

?? Ready to explore new frontiers in protein structure prediction and design? With Discovery Studio Simulation, you can combine the power of RFDiffusion, LigandMPNN and SolubleMPNN with cutting-edge structure prediction tools AlphaFold2 and OpenFold to design and visualize novel proteins faster and more precisely on the #3DEXPERIENCE platform. ?? Check out this video to learn how this integrated workflow accelerates the design of novel biologics: https://lnkd.in/gqcPi7fv. #DiscoveryStudioSimulation

Plastic waste is accumulating at an alarming rate, yet our understanding of its long-term persistence remains limited. In this publication, the authors used BIOVIA COSMOtherm to develop an ???? ???????????? screening of ionic liquids (ILs) for plastic recycling. Their evaluation revealed a good correlation between predicted thermodynamic properties and experimental results, with hydrogen bond interactions playing a key role. Explore the full publication here: https://go.3ds.com/o4p.

Explore streamlined Quality Management on the #3DEXPERIENCE cloud! ?? In this demo by Subra Narayanasamy, see how to triage quality events such as Deviation or CAPA and perform similarity analyses seamlessly. Watch the full video here: https://go.3ds.com/CHp.

Predicting physical-chemical properties such as solubility, partitioning and phase behavior is essential for advancing the chemical and pharmaceutical industries. Join Prof. Dr. Andreas Klamt — inventor of the COSMO and COSMO-RS methods and BIOVIA, Dassault Systèmes ambassador — for a complimentary, in-depth in-person block lecture at the University of Regensburg, Germany. This session will explore the molecular foundations of these critical properties, with a deep focus on liquid-phase behavior and the COSMO-RS method. As the driving theory behind BIOVIA’s COSMOtherm software, COSMO-RS offers a graphical and intuitive perspective on the “happiness of molecules in solution.” To register, connect with Prof. Klamt at [email protected].

?? Explore a larger biological space in silico with ProteinMPNN on the #3DEXPERIENCE cloud platform! Discovery Studio Simulation now offers seamless access to LigandMPNN and SolubleMPNN, allowing users to generate new protein sequences with control over sequence diversity or bias over particular amino acids. When paired with RFDiffusion, ProteinMPNN allows the design of novel proteins optimized for affinity, specificity and stability. Learn more: https://go.3ds.com/CHB. #DiscoveryStudioSimulation

Next week, we’re diving into the new science in Discovery Studio Simulation on the #3DEXPERIENCE platform: https://go.3ds.com/JWB. Join our Sr Product Manager, Dr. Tien Luu for an inside look at: ??Innovative AI methods for protein structure prediction and protein design, including OpenFold/AlphaFold2, RFDiffusion, ProteinMPNN models ??Collaborative, end-to-end solutions for small molecule therapeutics design, including GOLD by CCDC - The Cambridge Crystallographic Data Centre ??Latest scientific developments in #DiscoveryStudio 2025 on-prem

Materials Studio offers a powerful, user-friendly platform for modeling a wide range of systems. But how exactly does it work? Our latest blog by Sophie Whitaker explores how #MaterialsStudio enables precise, efficient modeling of complex polymer systems. From cross-linked polyethylene (XLPE) to custom polymer networks, discover how united atom forcefields and #PipelinePilot integration provide both flexibility and advanced tools for polymer studies: https://go.3ds.com/yGg.

?? Unlock new possibilities for novel therapeutics with RFDiffusion on the #3DEXPERIENCE platform! BIOVIA Discovery Studio Simulation users can now access motif scaffolding with RFDiffusion through the new Generate Protein Scaffolds protocol. Starting from a specific protein motif, you can design an entirely new protein scaffold that incorporates this motif, gaining precise control over both functional regions of the protein and the scaffold design. Discover more in our blog: https://go.3ds.com/7Mi. #DiscoveryStudioSimulation

Deep learning-based systems, AlphaFold and OpenFold, have revolutionized structural biology due to their capability to predict the three-dimensional structure of a protein from the amino acid sequence. However, since protein structure is dynamic, recent research focuses on how AlphaFold/OpenFold can be used to predict ensembles of protein conformations. In this webinar, Dr. Reed Harrison will present a novel strategy for subsampling multiple sequence alignments that leverage direct coupling analysis to bias models like AlphaFold towards distinct conformational states. He will also show implementation of this strategy as a new protocol in Discovery Studio Simulation, allowing our users to apply it to various biological systems and compare predicted conformations with known functional conformations. Register here: https://go.3ds.com/5y7.

Future Labs Live was a blast! ?? Thanks to everyone who visited our booth and joined Dr. Stephen Hayward's talks on turning labs into AI-powered innovation hubs. Missed us at the event? Let's connect and explore how to transform your lab operations: https://go.3ds.com/rd6. Future Labs Live USA