ALVARO
PEREZ BARCIA
Alumno/a tese / doutorado
Universidad Autónoma de Madrid
Madrid, EspañaPublicacións en colaboración con investigadores/as de Universidad Autónoma de Madrid (3)
2023
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Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis
Journal of Chemical Information and Modeling, Vol. 63, Núm. 3, pp. 882-897
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MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations
Journal of Computational Chemistry, Vol. 44, Núm. 4, pp. 516-533
2021
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Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis
Physical Chemistry Chemical Physics, Vol. 23, Núm. 36, pp. 20533-20540