71 citations · 990 across the 59 of their papers we have counts for
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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…
q-bio.QM2005★ 7 cited
Explicit factorization of external coordinates in constrained Statistical Mechanics models
Pablo Echenique, Ivan Calvo
If a macromolecule is described by curvilinear coordinates or rigid constraints are imposed, the equilibrium probability density that must be sampled in Monte Carlo simulations inc…