NDM-1 inhibitor discovery
Benchmark-first discovery linking known inhibitor activity, receptor ensembles and orthogonal scoring to prospective validation.
Scientific confidence should come from inspectable evidence—not from a beautiful score. We keep the question, independent methods, disagreement, measured validation and accountable review visibly connected.
Each programme is treated as a scientific object: one question, an explicit evidence state, visible uncertainty, a next experiment and a publication path. There are no invented progress percentages.
Benchmark-first discovery linking known inhibitor activity, receptor ensembles and orthogonal scoring to prospective validation.
A neglected-disease programme focused on tractable venom-enzyme inhibition before more complex translational work.
A serotype-aware structural programme designed to avoid overfitting to a single receptor state.
Comparing tractability, selectivity risk, structural evidence and assay feasibility before target commitment.
An evidence-led comparison of nsP2 and nsP4 before committing to a screening campaign.
For NDM-1, the first scientific question is not whether a generated molecule earns an impressive docking score. It is whether independent methods recover known activity and expose unstable rankings.
Can an uncertainty-aware, multi-model and multi-conformation workflow improve prospective prioritisation of NDM-1 inhibitors compared with a single structure and a single docking score?
Success means measured prospective performance—not a beautiful retrospective rank list.
A programme can contain strong computational work and still correctly show that biochemical or cellular confirmation is pending. Maturity and evidence type remain separate.
Papers, reports, protocols, benchmarks and datasets belong to a research programme and an explicit evidence level—not a generic downloads page.
Known-active/known-negative benchmark design and prospective validation framework.
Target, inhibitor and translational-gap map for venom enzyme inhibition.
Planned benchmark specification for serotype-aware NS5 inhibitor prioritisation.
Credible research records why a programme changed direction. Failed assumptions and conflicting signals belong in the scientific story—not only the successful outcome.
DecisionReframed Paper 1 as a method-validation benchmark; prospective chemistry moved to the next evidence stage.
DecisionElevated snakebite adjunct therapeutics as an India-focused signature research track.
Classical docking remains useful. Stronger evidence asks whether results survive orthogonal scoring, receptor states, learned models, physics and—when the claim requires it—prospective experiment.
Structures, sequences, formulations, mechanisms and proprietary assays may require filing before manuscript, article or social publication.
Bayes Pharma is software-led. Experimental confirmation can be executed with qualified laboratories, CROs and scientific collaborators while programme evidence remains traceable.
Biochemical, cellular, toxinology, microbiology and antiviral validation.
Prospective assay execution, DMPK and development-relevant measurements.
Joint methodology, disease expertise, structural biology and publication.
Programme collaboration, benchmarking and evidence-led discovery work.
Have an assay, target, dataset or programme that could strengthen one of these research tracks?
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