Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations

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The design of novel inhibitors for treating cancer by targeting CDC25B through disruption of CDC25B-CDK2/Cyclin A interaction using computational approaches.Computing the binding affinity of a ligand buried deep inside a protein with the hybrid steered molecular dynamics.

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Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations

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article científic

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article scientifique

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articolo scientifico

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artigo científico

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bilimsel makale

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scientific article published on 27 May 2016

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Ranking protein-protein dockin ...... ial of mean force calculations

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Ranking protein-protein dockin ...... al of mean force calculations.

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Ranking protein-protein dockin ...... ial of mean force calculations

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Ranking protein-protein dockin ...... al of mean force calculations.

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Ranking protein-protein dockin ...... ial of mean force calculations

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Ranking protein-protein dockin ...... al of mean force calculations.

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Ranking protein-protein dockin ...... ial of mean force calculations

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Juan Esquivel-Rodríguez

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Laura J Kingsley

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Markus A Lill

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Ying Yang

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Structural basis for ubiquitin-mediated dimerization and activation of the ubiquitin protein ligase Cbl-b

The refined 2.0 A X-ray crystal structure of the complex formed between bovine beta-trypsin and CMTI-I, a trypsin inhibitor from squash seeds (Cucurbita maxima). Topological similarity of the squash seed inhibitors with the carboxypeptidase A inhibi

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Structure of SARS coronavirus spike receptor-binding domain complexed with receptor.

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1861-1865

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scholarly article

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10.1002/JCC.24412

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P478

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Daisuke Kihara

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2016-05-27T00:00:00Z

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27232548

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5015890

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Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations

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Ranking protein-protein docking results using steered molecular dynamics and potential of mean force calculations

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P2093

P2860

P304

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P356

P433

P478

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P577

P698

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P2093

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P356

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P478

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P577

P698

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