Juan Frau

Publication Activity (10 Years)

Years Active: 1993-2019
Publications (10 Years): 3

Top Topics

Pharmaceutical Industry

Physico Chemical

Top Venues

J. Comput. Aided Mol. Des.

J. Chem. Inf. Model.

Publications

Norma Flores-Holguín, Juan Frau, Daniel Glossman-Mitnik
Chemical-Reactivity Properties, Drug Likeness, and Bioactivity Scores of Seragamides A-F Anticancer Marine Peptides: Conceptual Density Functional Theory Viewpoint. Comput. 7 (3) (2019)
Rafael Ramis, Joaquín Ortega-Castro, Rodrigo Casasnovas, Laura Mariño, Bartolomé Vilanova, Miquel Angel Mestre Adrover, Juan Frau
A Coarse-Grained Molecular Dynamics Approach to the Study of the Intrinsically Disordered Protein α-Synuclein. J. Chem. Inf. Model. 59 (4) (2019)
David Fernández, Rafael Ramis, Joaquín Ortega-Castro, Rodrigo Casasnovas, Bartolomé Vilanova, Juan Frau
New insights into human farnesyl pyrophosphate synthase inhibition by second-generation bisphosphonate drugs. J. Comput. Aided Mol. Des. 31 (7) (2017)
David Fernández, Joaquín Ortega-Castro, Laura Mariño, Joan Perelló, Juan Frau
Mechanistic insights into protonation state as a critical factor in hFPPS enzyme inhibition. J. Comput. Aided Mol. Des. 29 (7) (2015)
David Fernández, Joaquín Ortega-Castro, Juan Frau
Human farnesyl pyrophosphate synthase inhibition by nitrogen bisphosphonates: a 3D-QSAR study. J. Comput. Aided Mol. Des. 27 (8) (2013)
Miguel Coll, Juan Frau, Bartolomé Vilanova, Josefa Donoso, Francisco Muñoz
Electrostatic and structural similarity of classical and non-classical lactam compounds. J. Comput. Aided Mol. Des. 15 (9) (2001)
Juan Frau, Sarah L. Price
On the electrostatic and steric similarity of lactam compounds and the natural substrate for bacterial cell-wall biosynthesis. J. Comput. Aided Mol. Des. 10 (2) (1996)
Juan Frau, Josefa Donoso, Francisco Muñoz, Francisco García Blanco
Theoretical calculations of β-lactam antibiotics. V. AM1 calculations of hydrolysis of cephalothin in gaseous phase and influence of the solvent. J. Comput. Chem. 14 (12) (1993)