Computational Analysis of Phosphopeptide Binding to the Polo-Box Domain of the Mitotic Kinase PLK1 Using Molecular Dynamics Simulation

Probing Binding Modes of Small Molecule Inhibitors to the Polo-Box Domain of Human Polo-like Kinase 1

(2010) Chenzhong Liao et al.   ACS Medicinal Chemistry Letters

MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein−Protein Interface

(2009) Sergio Wong et al.   Journal of Chemical Theory and Computation

Prediction of the Water Content in Protein Binding Sites

(2009) Julien Michel et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Computations of Standard Binding Free Energies with Molecular Dynamics Simulations

(2009) Yuqing Deng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Structural and functional analyses of minimal phosphopeptides targeting the polo-box domain of polo-like kinase 1

(2009) Sang-Moon Yun et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

High-energy water sites determine peptide binding affinity and specificity of PDZ domains

(2009) Thijs Beuming et al.   PROTEIN SCIENCE

Inhibition of Polo-like Kinase 1 by Blocking Polo-Box Domain-Dependent Protein-Protein Interactions

(2008) Wolfgang Reindl et al.   CHEMISTRY & BIOLOGY

Polo on the Rise—from Mitotic Entry to Cytokinesis with Plk1

(2008) Mark Petronczki et al.   DEVELOPMENTAL CELL

Deficiency in Chromosome Congression by the Inhibition of Plk1 Polo Box Domain-dependent Recognition

(2008) Nobumoto Watanabe et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding

(2008) Robert Abel et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamics of conserved waters in human Hsp90: implications for drug design

(2008) A. Yan et al.   Journal of the Royal Society Interface

Water as an Active Constituent in Cell Biology

(2007) Philip Ball   CHEMICAL REVIEWS