Jamal El Yazal

Publications by Year

Research Areas

Metal complexes synthesis and properties, Computational Drug Discovery Methods, Crystallography and molecular interactions, Cholinesterase and Neurodegenerative Diseases, Protein Structure and Dynamics

Most-Cited Works

• Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach.(2000)
• → Atomic levers control pyranose ring conformations(1999)147 cited
• → Heterodimeric Tacrine-Based Acetylcholinesterase Inhibitors: Investigating Ligand−Peripheral Site Interactions(1999)125 cited
• → Predicted Michaelis-Menten Complexes of Cocaine-Butyrylcholinesterase(2001)86 cited
• → Prediction of Organophosphorus Acetylcholinesterase Inhibition Using Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Methods(2001)53 cited
• → Ab Initio Calculations of Proton Dissociation Energies of Zinc Ligands: Hypothesis of Imidazolate as Zinc Ligand in Proteins(1999)52 cited
• → Protonation States of the Chromophore of Denatured Green Fluorescent Proteins Predicted by ab Initio Calculations(2000)45 cited
• → Proton Dissociation Energies of Zinc-Coordinated Hydroxamic Acids and Their Relative Affinities for Zinc: Insight into Design of Inhibitors of Zinc-Containing Proteinases(2000)36 cited
• → Novel Stable Configurations and Tautomers of the Neutral and Deprotonated Hydroxamic Acids Predicted from High-Level ab Initio Calculations(1999)35 cited
• → Zinc's Affect on Proton Transfer between Imidazole and Acetate Predicted by ab Initio Calculations(2000)29 cited