The Polo-Like Kinase 1 (PLK1) acts as a central regulator of mitosis and is over-expressed in a wide range of human tumours where high levels of expression correlate with a poor prognosis. PLK1 comprises two structural elements, a kinase domain and a polo-box domain (PBD). The PBD binds phosphorylated substrates to control substrate phosphorylation by the… (More)
The functions of RNAs, like proteins, are determined by their structures, which, in turn, are determined by their sequences. Comparison/alignment of RNA molecules provides an effective means to predict their functions and understand their evolutionary relationships. For RNA sequence alignment, most methods developed for protein and DNA sequence alignment… (More)
Editors Rational Drug Design With 55 Illustrations Springer CONTENTS Foreword v Preface vii PANEL DISCUSSIONS Important current problems in drug design that may be computationally tractable 1 Panelists: Modeling the effect of solvation on structure, reactivity, and partitioning of organic solutes: Utility in drug design 51 Candee C. A preliminary… (More)
(2015) Conformational sampling and structure prediction of multiple interacting loops in soluble and beta-barrel membrane proteins using multi-loop distance-guided chain-growth Monte Carlo method.