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Literature DB >> 32857961

Adding Substituent Nonadditivity in Protein Allostery by NMR.

Mary C Clay¹, Charalampos G Kalodimos².

Abstract

Mesh：

Substances：
Ligands
Proteins

Year: 2020 PMID： 32857961 PMCID： PMC7499121 DOI： 10.1016/j.bpj.2020.07.037

Source DB: PubMed Journal: Biophys J ISSN： 0006-3495 Impact factor: 4.033

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References

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10 in total

1. QSAR modeling: where have you been? Where are you going to?

Authors: Artem Cherkasov; Eugene N Muratov; Denis Fourches; Alexandre Varnek; Igor I Baskin; Mark Cronin; John Dearden; Paola Gramatica; Yvonne C Martin; Roberto Todeschini; Viviana Consonni; Victor E Kuz'min; Richard Cramer; Romualdo Benigni; Chihae Yang; James Rathman; Lothar Terfloth; Johann Gasteiger; Ann Richard; Alexander Tropsha
Journal: J Med Chem Date: 2014-01-06 Impact factor: 7.446

2. Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.

Authors: Bernhard Baum; Laveena Muley; Michael Smolinski; Andreas Heine; David Hangauer; Gerhard Klebe
Journal: J Mol Biol Date: 2010-02-12 Impact factor: 5.469

3. Mapping allostery through the covariance analysis of NMR chemical shifts.

Authors: Rajeevan Selvaratnam; Somenath Chowdhury; Bryan VanSchouwen; Giuseppe Melacini
Journal: Proc Natl Acad Sci U S A Date: 2011-03-28 Impact factor: 11.205

4. Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule?

Authors: Nader N Nasief; David Hangauer
Journal: Eur J Med Chem Date: 2014-11-28 Impact factor: 6.514

Review 10. Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges.

Authors: Isabella A Guedes; Felipe S S Pereira; Laurent E Dardenne
Journal: Front Pharmacol Date: 2018-09-24 Impact factor: 5.810

10 in total

Adding Substituent Nonadditivity in Protein Allostery by NMR.

1. QSAR modeling: where have you been? Where are you going to?

2. Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry.

3. Mapping allostery through the covariance analysis of NMR chemical shifts.

4. Additivity or cooperativity: which model can predict the influence of simultaneous incorporation of two or more functionalities in a ligand molecule?

Review 5. Probing conformational dynamics in biomolecules via chemical exchange saturation transfer: a primer.

6. Allosteric Mechanisms of Nonadditive Substituent Contributions to Protein-Ligand Binding.

7. Implementation of the NMR CHEmical Shift Covariance Analysis (CHESCA): A Chemical Biologist's Approach to Allostery.

8. Structures of invisible, excited protein states by relaxation dispersion NMR spectroscopy.

9. Atomic view of the energy landscape in the allosteric regulation of Abl kinase.

Review 10. Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges.