A numerically stable restrained electrostatic potential charge fitting method


A numerically stable restrained electrostatic potential charge fitting method is a scholarly work by John Z. H. Zhang and Ye Mei, published in 2012 in ''Journal of Computational Chemistry''. The main subjects of the publication include protein structure prediction, chemistry, partial charge, charge, dipole, weighting, electrostatics, molecular physics, quantum biology, density functional theory, residual, computational chemistry, and atomic physics. AbstractInspired by the idea of charge decomposition in calculation of the dipole preserving and polarization consistent charges (Zhang et al., J.

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