Juan Frau
Orcid: 0000-0003-2562-9975
According to our database1,
Juan Frau
authored at least 8 papers
between 1993 and 2019.
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Bibliography
2019
A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein.
J. Chem. Inf. Model., 2019
Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A-F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint.
Comput., 2019
2017
New insights into human farnesyl pyrophosphate synthase inhibition by second-generation bisphosphonate drugs.
J. Comput. Aided Mol. Des., 2017
2015
Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition.
J. Comput. Aided Mol. Des., 2015
2013
Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study.
J. Comput. Aided Mol. Des., 2013
2001
Electrostatic and structural similarity of classical and non-classical lactam compounds.
J. Comput. Aided Mol. Des., 2001
1996
On the electrostatic and steric similarity of lactam compounds and the natural substrate for bacterial cell-wall biosynthesis.
J. Comput. Aided Mol. Des., 1996
1993
Theoretical calculations of β-lactam antibiotics. V. AM1 calculations of hydrolysis of cephalothin in gaseous phase and influence of the solvent.
J. Comput. Chem., 1993