... 509–521.21. Gilson, M.K., Davis, M.E., Luty, B .A. & McCammon, J .A. (1993) Variational analysis of and numerical calculation of atomicforces for the Poisson–Boltzmann equation by the method of finitedifferences. ... definition of hydrogen bondhere is broader and includes not only the distance between the donor and acceptor atoms and their relative orientation,but also the observation of unusual pK a values attributed ... structure packing and stability. In addition, wediscuss the role of charges in function of RIIa D/D.MATERIALS AND METHODSSample preparation and NMR spectroscopySample preparations and the types of...