{"schema_version":"1.0","canonical_url":"https://patentable.app/patents/US-8538706","patent":{"patent_number":"US-8538706","title":"Method for affinity scoring of peptide/protein complexes","assignee":null,"inventors":[],"filing_date":"2011-10-11T00:00:00.000Z","publication_date":"2013-09-17T00:00:00.000Z","cpc_codes":["G16B","G16B","G16B","G16B","G16B"],"num_claims":20,"abstract":"The present invention is related to a quantitative structure-based affinity scoring method for peptide/protein complexes. More specifically, the present invention comprises a method that operates on the basis of a highly specific force field function (e.g. CHARMM) that is applied to all-atom structural representations of peptide/receptor complexes. Peptide side-chain contributions to total affinity are scored after detailed rotameric sampling followed by controlled energy refinement. The method of the invention further comprises a de novo approach to estimate dehydration energies from the simulation of individual amino acids in a solvent box filled with explicit water molecules and applying the same force field function as used to evaluate peptide/receptor complex interactions."},"analysis":{"summary":null,"layman_explanation":null,"technical_analysis":null,"business_analysis":null,"faqs":null,"topics":[],"tech_cluster":null},"seo":{"title":"Method for affinity scoring of peptide/protein complexes","description":"The present invention is related to a quantitative structure-based affinity scoring method for peptide/protein complexes. More specifically, the present invention comprises a method that operates on t","keywords":[]},"attribution":{"source":"Patentable","source_url":"https://patentable.app","canonical_url":"https://patentable.app/patents/US-8538706","license":"CC-BY-4.0-like","license_terms":"AI-generated analysis on this page (summary, layman_explanation, technical_analysis, business_analysis, faqs) may be reused with attribution and a visible link back to the canonical URL above. Patent abstracts, claims, and bibliographic data are USPTO public domain.","required_link":"https://patentable.app/patents/US-8538706","citation_suggestion":"Patentable. \"Method for affinity scoring of peptide/protein complexes\" (US-8538706). https://patentable.app/patents/US-8538706","copyright_holder":"Nomic Interactive Technology LLC"},"links":{"html":"https://patentable.app/patents/US-8538706","json":"https://patentable.app/api/llm-context/US-8538706","site":"https://patentable.app","llms_txt":"https://patentable.app/llms.txt"},"generated_at":"2026-05-30T17:16:37.055Z"}