Matches in SemOpenAlex for { <https://semopenalex.org/work/W3029831884> ?p ?o ?g. }
Showing items 1 to 71 of
71
with 100 items per page.
- W3029831884 abstract "A mutation to the amino acid sequence of a protein can cause a biomolecule to be resistant to the intended effects of a drug. Assessing the changes of a drug’s efficacy in response to mutations via mutagenesis wet-lab experiments is prohibitively time consuming for even a single point mutation, let alone for all possible mutations. Existing approaches for inferring mutation-induced drug resistance are available, but all of them reason about mutations of residues at or very near the protein-drug interface. However, there are examples of mutations far away from the region where the ligand binds, but which nonetheless render a protein resistant to the effects of the drug. We present a proof-of-concept computational pipeline that generates in silico the set of all possible single point mutations in a protein-ligand complex. We assess drug resistance using a graph theoretic rigidity analysis approach. Unlike existing methods, we are able to assess the impact of mutations far away from the protein-drug interface. We introduce several visualizations for exploring how amino acid substitutions both near and far away from where the ligand interacts with a protein target have a stabilizing or destabilizing effect on the protein-drug complex. We discuss our analytical approach in the context of experimental data from the literature about clinically known protein-drug interactions." @default.
- W3029831884 created "2020-06-05" @default.
- W3029831884 creator A5029819787 @default.
- W3029831884 creator A5038178632 @default.
- W3029831884 creator A5046109728 @default.
- W3029831884 creator A5060594268 @default.
- W3029831884 date "2020-03-11" @default.
- W3029831884 modified "2023-10-06" @default.
- W3029831884 title "Assessing Protein-Drug Resistance Due to Mutations via a Rigidity Analysis in silico Approach" @default.
- W3029831884 doi "https://doi.org/10.29007/7gnf" @default.
- W3029831884 hasPublicationYear "2020" @default.
- W3029831884 type Work @default.
- W3029831884 sameAs 3029831884 @default.
- W3029831884 citedByCount "0" @default.
- W3029831884 crossrefType "proceedings-article" @default.
- W3029831884 hasAuthorship W3029831884A5029819787 @default.
- W3029831884 hasAuthorship W3029831884A5038178632 @default.
- W3029831884 hasAuthorship W3029831884A5046109728 @default.
- W3029831884 hasAuthorship W3029831884A5060594268 @default.
- W3029831884 hasBestOaLocation W30298318841 @default.
- W3029831884 hasConcept C104317684 @default.
- W3029831884 hasConcept C114851261 @default.
- W3029831884 hasConcept C11804247 @default.
- W3029831884 hasConcept C151730666 @default.
- W3029831884 hasConcept C16318435 @default.
- W3029831884 hasConcept C176944494 @default.
- W3029831884 hasConcept C2775905019 @default.
- W3029831884 hasConcept C2779343474 @default.
- W3029831884 hasConcept C2780035454 @default.
- W3029831884 hasConcept C2780430158 @default.
- W3029831884 hasConcept C41008148 @default.
- W3029831884 hasConcept C501734568 @default.
- W3029831884 hasConcept C515207424 @default.
- W3029831884 hasConcept C54355233 @default.
- W3029831884 hasConcept C70721500 @default.
- W3029831884 hasConcept C86803240 @default.
- W3029831884 hasConcept C98274493 @default.
- W3029831884 hasConceptScore W3029831884C104317684 @default.
- W3029831884 hasConceptScore W3029831884C114851261 @default.
- W3029831884 hasConceptScore W3029831884C11804247 @default.
- W3029831884 hasConceptScore W3029831884C151730666 @default.
- W3029831884 hasConceptScore W3029831884C16318435 @default.
- W3029831884 hasConceptScore W3029831884C176944494 @default.
- W3029831884 hasConceptScore W3029831884C2775905019 @default.
- W3029831884 hasConceptScore W3029831884C2779343474 @default.
- W3029831884 hasConceptScore W3029831884C2780035454 @default.
- W3029831884 hasConceptScore W3029831884C2780430158 @default.
- W3029831884 hasConceptScore W3029831884C41008148 @default.
- W3029831884 hasConceptScore W3029831884C501734568 @default.
- W3029831884 hasConceptScore W3029831884C515207424 @default.
- W3029831884 hasConceptScore W3029831884C54355233 @default.
- W3029831884 hasConceptScore W3029831884C70721500 @default.
- W3029831884 hasConceptScore W3029831884C86803240 @default.
- W3029831884 hasConceptScore W3029831884C98274493 @default.
- W3029831884 hasLocation W30298318841 @default.
- W3029831884 hasOpenAccess W3029831884 @default.
- W3029831884 hasPrimaryLocation W30298318841 @default.
- W3029831884 hasRelatedWork W1940187195 @default.
- W3029831884 hasRelatedWork W1986858445 @default.
- W3029831884 hasRelatedWork W2002242109 @default.
- W3029831884 hasRelatedWork W2028961943 @default.
- W3029831884 hasRelatedWork W2099471962 @default.
- W3029831884 hasRelatedWork W2117541321 @default.
- W3029831884 hasRelatedWork W2133882122 @default.
- W3029831884 hasRelatedWork W2136886756 @default.
- W3029831884 hasRelatedWork W2401424251 @default.
- W3029831884 hasRelatedWork W3214668463 @default.
- W3029831884 isParatext "false" @default.
- W3029831884 isRetracted "false" @default.
- W3029831884 magId "3029831884" @default.
- W3029831884 workType "article" @default.