Article citationsMore>>

S. Kumar, J. M. Rosenberg, D. Bouzida, R. H. Swendsen and P. A. Kollman, “The Weighted Histogram Analysis Method for Free-Energy Calculations on Biomolecules. I. The Method,” Journal of Computational Chemistry, Vol. 13, No. 2, 1992, pp. 1011-1021. doi:10.1002/jcc.540130812

has been cited by the following article:

• TITLE: Evaluation of CDK6 and p16/INK4a-Derived Peptides Interaction

  AUTHORS: Andrey Kazennov, Andrey Alekseenko, Vladimir Bozhenko, Tatiana Kulinich, Nikolay Shuvalov, Yaroslav Kholodov

  KEYWORDS: Cyclin-Dependent Kinases; Molecular Dynamics; Umbrella Sampling; GPU; SASA

  JOURNAL NAME: Computational Molecular Bioscience, Vol.3 No.3, August 22, 2013

  ABSTRACT: The goal of this work is the development of novel peptides with high efficacy of inhibiting activity of CDK6/CyclinD complex. The peptides were derived from primary sequence of P16 protein and its homologues. The interactions between CDK6 and P16/INK4a-derived peptides are studied with molecular dynamics simulation employing umbrella sampling method. The SASA implicit solvent model was used for simulation, which was accelerated using NVIDIA GPUs.