Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2

Open Access

Peer-reviewed

Research Article

Pasquale Pisani,

Affiliation Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy
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Fabiana Caporuscio ,

Contributed equally to this work with: Fabiana Caporuscio, Luca Carlino

Affiliation Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy
⨯
Luca Carlino ,

Contributed equally to this work with: Fabiana Caporuscio, Luca Carlino

Affiliation Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy
⨯
Giulio Rastelli

* E-mail: giulio.rastelli@unimore.it

Affiliation Department of Life Sciences, University of Modena and Reggio Emilia, Via Campi 103, 41125, Modena, Italy
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Crystal structure
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Free energy
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Metastasis
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Salt bridges
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Biochemical simulations
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Molecular dynamics
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Protein structure
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Cyclins
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