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Article

An Atomistic Statistically Effective Energy Function for Computational Protein Design.

Journal of chemical theory and computation - 9 Aug 2016

Topham Christopher M, Barbe Sophie, André Isabelle

Abstract excerpt

Shortcomings in the definition of effective free-energy surfaces of proteins are recognized to be a major contributory factor responsible for the low success rates of existing automated methods for computational protein design (CPD). The formulation of an atomistic statistically effective energy function (SEEF) suitable for a wide range of CPD applications and its derivation from structural data extracted from...

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PMID: 27341125
DOI: 10.1021/acs.jctc.6b00090

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CPD

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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