A distributional model of bound ligand conformational strain: From small molecules up to large peptidic macrocycles

AN Jain, AC Brueckner, AE Cleves… - Journal of Medicinal …, 2023 - ACS Publications
The internal conformational strain incurred by ligands upon binding a target site has a
critical impact on binding affinity, and expectations about the magnitude of ligand strain …
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[HTML][HTML] A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles

AN Jain, AC Brueckner, AE Cleves… - Journal of Medicinal …, 2023 - ncbi.nlm.nih.gov
The internal conformational strain incurred by ligands upon binding a target site has a
critical impact on binding affinity, and expectations about the magnitude of ligand strain …

A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles.

AN Jain, AC Brueckner, AE Cleves… - Journal of Medicinal …, 2023 - europepmc.org
The internal conformational strain incurred by ligands upon binding a target site has a
critical impact on binding affinity, and expectations about the magnitude of ligand strain …

A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles

AN Jain, AC Brueckner, AE Cleves… - Journal of …, 2023 - pubmed.ncbi.nlm.nih.gov
The internal conformational strain incurred by ligands upon binding a target site has a
critical impact on binding affinity, and expectations about the magnitude of ligand strain …

A Distributional Model of Bound Ligand Conformational Strain: From Small Molecules up to Large Peptidic Macrocycles.

AN Jain, AC Brueckner, AE Cleves… - Journal of Medicinal …, 2023 - europepmc.org
The internal conformational strain incurred by ligands upon binding a target site has a
critical impact on binding affinity, and expectations about the magnitude of ligand strain …