A force balanced generalized molecular fractionation with conjugate caps (FB-GMFCC) method is proposed for ab initio molecular dynamic simulation of proteins. In this approach. the energy of the protein is computed by a linear combination of the QM energies of individual residues and molecular fragments that account for the two-body interaction of hydrogen bond between backbone peptid... https://macorners.shop/product-category/women-leather-belt/
A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein
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