Michelle Dechene

Works (2)

Updated: July 5th, 2023 15:49

2019 journal article

DRoP: Automated detection of conserved solvent-binding sites on proteins

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 88(1), 152–165.

By: B. Kearney  n, M. Schwabe *, K. Marcus *, D. Roberts  n, M. Dechene n, P. Swartz n, C. Mattos n

author keywords: conserved solvent positions; DRoP software; protein hydration; protein multiple crystal structures; RNase A; water analysis program
MeSH headings : Animals; Binding Sites; Cattle; Crystallography, X-Ray; Databases, Protein; Humans; Ligands; Models, Molecular; Organic Chemicals / chemistry; Protein Binding; Protein Conformation; Proteins / chemistry; Ribonuclease, Pancreatic / chemistry; Software; Solvents / chemistry; Water / chemistry
TL;DR: A previously unpublished set of MSCS structures of bovine pancreatic ribonuclease A (RNase A) is presented and used together with published structures to illustrate the capabilities of DRoP, a flexible tool developed to automatically organize and rank the water or small organic molecule binding sites within a given set of structures. (via Semantic Scholar)
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Source: Web Of Science
Added: August 12, 2019

2009 journal article

Multiple solvent crystal structures of ribonuclease A: An assessment of the method

PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 76(4), 861–881.

By: M. Dechene n, G. Wink n, M. Smith n, P. Swartz n & C. Mattos n

author keywords: organic solvents; solvent mapping; plasticity; hydration; protein binding sites
MeSH headings : Animals; Catalytic Domain; Cattle; Computer Simulation; Crystallography, X-Ray; Models, Molecular; Pancreas / enzymology; Protein Binding; Protein Conformation; Ribonuclease, Pancreatic / chemistry; Ribonuclease, Pancreatic / metabolism; Solvents / chemistry; Solvents / metabolism; Water / chemistry; Water / metabolism
TL;DR: Comparison of the MSCS structures with inhibitor‐bound crystal structures of RNAse A reveals that the organic solvent molecules identify key interactions made by inhibitor molecules, highlighting ligand binding hot‐spots in the active site. (via Semantic Scholar)
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6. Clean Water and Sanitation (OpenAlex)
Source: Web Of Science
Added: August 6, 2018

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