Antonio Morreale
Repsol (Spain)(ES)
Publications by Year
Research Areas
Computational Drug Discovery Methods, Protein Structure and Dynamics, Analytical Chemistry and Chromatography, Spectroscopy and Quantum Chemical Studies, Chemical Synthesis and Analysis
Most-Cited Works
- → Structural Characterization of PTX3 Disulfide Bond Network and Its Multimeric Status in Cumulus Matrix Organization(2008)139 cited
- → Theoretical Study of the Truncated Hemoglobin HbN: Exploring the Molecular Basis of the NO Detoxification Mechanism(2005)116 cited
- → Cooperativity Between T Cell Receptor Complexes Revealed by Conformational Mutants of CD3ɛ(2009)100 cited
- → Continuum solvation models: Dissecting the free energy of solvation(2003)99 cited
- → Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptors(2004)91 cited
- → MM-ISMSA: An Ultrafast and Accurate Scoring Function for Protein–Protein Docking(2012)74 cited
- → Potential energy surface of cyclooctatetraene(1998)67 cited
- → The Principle of Maximum Chiral Discrimination: Chiral Recognition in Permethyl-β-cyclodextrin(1998)63 cited
- → First-in-class inhibitor of the T cell receptor for the treatment of autoimmune diseases(2016)59 cited
- → Computational study on the difference between the Co–C bond dissociation energy in methylcobalamin and adenosylcobalamin(2005)47 cited