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G. M. Torrie and J. P. Valleau, “Nonphysical Sampling Distributions in Monte Carlo Free-Energy Estimation: Umbrella Sampling,” Journal of Computational Physics, Vol. 23, No. 2, 1977, pp. 187-199. doi:10.1016/0021-9991(77)90121-8

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.