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Literature DB >> 17001728

Ligand preorganization may be accompanied by entropic penalties in protein-ligand interactions.

Aaron P Benfield¹, Martin G Teresk, Hilary R Plake, John E DeLorbe, Laura E Millspaugh, Stephen F Martin.

Abstract

Mesh：

Substances：
Ligands
Proteins

Year: 2006 PMID： 17001728 DOI： 10.1002/anie.200600844

Source DB: PubMed Journal: Angew Chem Int Ed Engl ISSN： 1433-7851 Impact factor: 15.336

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28 in total

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2. Protein-ligand interactions: probing the energetics of a putative cation-π interaction.

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3. Natural Products and Their Mimics as Targets of Opportunity for Discovery.

Authors: Stephen F Martin
Journal: J Org Chem Date: 2017-09-15 Impact factor: 4.354

4. Probing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations.

Authors: Yue Shi; Crystal Z Zhu; Stephen F Martin; Pengyu Ren
Journal: J Phys Chem B Date: 2012-01-31 Impact factor: 2.991

Review 5. Limiting assumptions in structure-based design: binding entropy.

Authors: Garland R Marshall
Journal: J Comput Aided Mol Des Date: 2012-01-03 Impact factor: 3.686

6. Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ.

Authors: Jonathan A Spencer; Ian R Baldwin; Nick Barton; Chun-Wa Chung; Máire A Convery; Christopher D Edwards; Craig Jamieson; David N Mallett; James E Rowedder; Paul Rowland; Daniel A Thomas; Charlotte J Hardy
Journal: ACS Med Chem Lett Date: 2020-06-03 Impact factor: 4.345

Ligand preorganization may be accompanied by entropic penalties in protein-ligand interactions.

1. Protein-ligand interactions: thermodynamic effects associated with increasing nonpolar surface area.

2. Protein-ligand interactions: probing the energetics of a putative cation-π interaction.

3. Natural Products and Their Mimics as Targets of Opportunity for Discovery.

4. Probing the effect of conformational constraint on phosphorylated ligand binding to an SH2 domain using polarizable force field simulations.

Review 5. Limiting assumptions in structure-based design: binding entropy.

6. Design and Development of a Macrocyclic Series Targeting Phosphoinositide 3-Kinase δ.

7. Structural and Dynamic Insights of the Interaction between Tritrpticin and Micelles: An NMR Study.

8. Thermodynamic and Structural Effects of Macrocyclization as a Constraining Method in Protein-Ligand Interactions.

9. Structural and energetic aspects of Grb2-SH2 domain-swapping.

10. Conformational variability of benzamidinium-based inhibitors.