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Fiverr Pro
English
$
USD
I will audit your molecular docking protocol and binding poses
Cheminformatics and Computational Drug Discovery
I am an independent computational researcher working in drug discovery and cheminformatics since 2025. I use RDKit, ChEMBL and Python for bioactivity curation, scaffold and SAR analysis, chemical-spac...
About this Gig
Are your docking poses and rankings supported by a reproducible protocol? I review supplied docking methods and outputs for drug discovery research, identifying methodological gaps and limits to interpretation.
BASIC: one target, one supplied protocol and up to 10 poses. Receive a concise written audit covering preparation, protonation assumptions, grid/settings, controls and reported conclusions.
STANDARD: up to 30 poses and 3 references, with closer review of geometry, controls and reporting.
PREMIUM: the Standard review plus a scoped validation plan and explicit acceptance criteria.
Deliverables: an English PDF report, prioritised issues and practical next steps. One revision addresses clarification within the agreed scope.
My background includes independent computational research and HDAC research advice using Python, RDKit and ChEMBL.
This is a review of supplied materials. New docking runs, MD, FEP, experimental assays and guarantees of binding, potency or selectivity are excluded. Predictions are distinguished from experimental evidence. Please message me with the target, files and research question before ordering.
FAQ
Will you run docking or validate biological activity?
No. I audit supplied methods and poses. New calculations and wet-lab assays are excluded. A docking score does not establish binding, potency or selectivity. The Premium package provides a validation plan, not its execution.
