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2009

X-Pol Potential: An Electronic Structure-Based Force Field for Molecular Dynamics Simulation of a Solvated Protein in Water

W. Xie, M. Orozco, D. Truhlar, and J. Gao
Ab initio study of the structural, tautomeric, pairing, and electronic properties of seleno-derivatives of thymine

A. Vázquez-Mayagoitia, O. Huertas, M. Fuentes-Cabrera, B. G. Sumpter, M. Orozco, and F J. Luque
COCO: A simple tool to enrich the representation of conformational variability in NMR structures

C. Laughton, M. Orozco, and W. Vranken

2008

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