Improved peptide and protein torsional energetics with the OPLS-AA force field
MJ Robertson, J Tirado-Rives… - Journal of chemical …, 2015 - ACS Publications
The development and validation of new peptide dihedral parameters are reported for the
OPLS-AA force field. High accuracy quantum chemical methods were used to scan φ, ψ, χ1,
and χ2 potential energy surfaces for blocked dipeptides. New Fourier coefficients for the
OPLS-AA force field. High accuracy quantum chemical methods were used to scan φ, ψ, χ1,
and χ2 potential energy surfaces for blocked dipeptides. New Fourier coefficients for the
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