Molecular fractionation with conjugate caps for full quantum mechanical calculation of protein–molecule interaction energy
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.1591727
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3. Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystals
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5. Molecular dynamics with coupling to an external bath
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