71 citations · 990 across the 59 of their papers we have counts for
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q-bio.BM2006
Effects of constraints in general branched molecules: A quantitative ab initio study in HCO-L-Ala-NH2
Pablo Echenique, J. L. Alonso, Ivan Calvo
A general approach to the design of accurate classical potentials for protein folding is described. It includes the introduction of a meaningful statistical measure of the differen…
q-bio.QM2006★ 21 cited
Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the Alanine dipeptide
Pablo Echenique, Ivan Calvo, J. L. Alonso
If constraints are imposed on a macromolecule, two inequivalent classical models may be used: the stiff and the rigid one. This work studies the effects of such constraints on the…