RiDYMO®
RiDYMO leverages our deep understanding in protein structural dynamics to unlock challenging targets and accelerate early discovery of small molecule, (macrocyclic) peptide, and novel conjugate therapeutics.
Reinforced Dynamics Sampling
Traditional molecular dynamics (MD) and metadynamics simulations often struggle when dealing with a large number of collective variables (CVs) or systems with high free energy barriers, limiting their ability to explore critical conformations.
RiDYMO® uses reinforced dynamics (RiD) to efficiently sample the high-dimensional (more than 100 CVs) with clustering and adaptive tuning techniques. With 100x the efficiency of conventional MD, RiD reveals cryptic binding sites and metastable conformations for "undruggable" targets.
Virtual Screening and Molecule Generation
We use AI- and physics-based virtual screening and generative methods to explore and score the vast chemical space and identify potent hits.
Validation Followed By Iterative Optimization
We combine computational affinity and stability assessments with machine learning-driven ADME/T property predictions, followed by experimental validation, enabling iterative optimization toward a development candidate.
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How We Work With Our Clients
• SM/Peptide/XDCs hit discovery
• Expertise in "undruggable target"
• Fee-for-service or milestone-based
• Scalable cloud compute platform
• Virtual Screening, FEP, QSAR
• Customizable pricing models
• Dedicated experts in AI, Comp. Chem. & Bio.
• End-to-end computational workflow support
• Month-by-month billing
Our mission is to democratize computational drug discovery tools and empower researchers and organizations worldwide.