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A strategy for proline and glycine mutations to proteins with alchemical free energy calculations

scientific article published on 12 April 2021

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A strategy for proline and glycine mutations to proteins with alchemical free energy calculations (English)

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Charles L Brooks

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publication date

12 April 2021

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English

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Journal of Computational Chemistry

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volume

42

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issue

15

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page(s)

1088-1094

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cites work

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High-resolution structural and thermodynamic analysis of extreme stabilization of human procarboxypeptidase by computational protein design

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Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules

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A large scale test of computational protein design: folding and stability of nine completely redesigned globular proteins

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QresFEP: An Automated Protocol for Free Energy Calculations of Protein Mutations in Q

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COCI

reference URL

https://opencitations.net/index/api/v1/citations/10.1021/ACS.JCTC.9B00538

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24 May 2025

CDOCKER and λ-dynamics for prospective prediction in D₃R Grand Challenge 2.

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reference URL

https://opencitations.net/index/api/v1/citations/10.1007/S10822-017-0050-5

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30 November 2025

D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies

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COCI

reference URL

https://opencitations.net/index/api/v1/citations/10.1007/S10822-020-00289-Y

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30 November 2025

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30 May 2025

(Q113329165)

A strategy for proline and glycine mutations to proteins with alchemical free energy calculations

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