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Disambiguation of "Luque, F. Javier"

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Ab initio study of bond stretching: Implications in force-field parametrization for molecular mechanics and dynamics.

, and . J. Comput. Chem., 14 (8): 881-894 (1993)

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F Javier Mendizabal Mugica

Alejandro Luque Estepa

Javier Dreyer

Javier Manero

Javier Jáurequi

 

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Suitability of density functional methods for calculation of electrostatic properties., , and . J. Comput. Chem., 18 (8): 980-991 (1997)Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies., , and . J. Comput. Aided Mol. Des., 24 (4): 281-291 (2010)TuberQ: a Mycobacterium tuberculosis protein druggability database., , , , , , and . Database J. Biol. Databases Curation, (2014)Prediction of n-octanol/water partition coefficients and acidity constants (pKa) in the SAMPL7 blind challenge with the IEFPCM-MST model., , , , and . J. Comput. Aided Mol. Des., 35 (7): 803-811 (2021)Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR., , , , , and . J. Comput. Chem., 37 (13): 1147-1162 (2016)Fractional description of free energies of solvation., , and . J. Comput. Aided Mol. Des., 13 (2): 139-152 (1999)Molecular Dynamics Study of Oligonucleotides Containing Difluorotoluene, , , and . Journal of the American Chemical Society, 122 (29): 6891--6899 (July 2000)Continuum and discrete calculation of fractional contributions to solvation free energy., , , and . J. Comput. Chem., 24 (13): 1610-1623 (2003)An Optimized AM1/MST Method for the MST-SCRF Representation of Solvated Systems., , and . J. Comput. Chem., 15 (8): 847-857 (1994)Development of Optimized MST/SCRF Methods for Semiempirical Calculations: The MNDO and PM3 Hamilitonians., , and . J. Comput. Chem., 16 (5): 563-575 (1995)