Atomic Levers Control Pyranose Ring Conformations von Marszalek, Piotr E., Pang, Yuan-Ping, Li, Hongbin, El Yazal, Jamal, Oberhauser, Andres F., Fernandez, Julio M.

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Heterodimeric Tacrine-Based Acetylcholinesterase Inhibitors:  Investigating Ligand−Peripheral Site Interactions von Carlier, Paul R, Chow, Ella S.-H, Han, Yifan, Liu, Jing, Yazal, Jamal El, Pang, Yuan-Ping

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Methamphetamine-Induced Dopaminergic Neurotoxicity: Role of Peroxynitrite and Neuroprotective Role of Antioxidants and Peroxynitrite Decomposition Catalysts von IMAM, SYED Z., EL-YAZAL, JAMAL, NEWPORT, GLENN D., ITZHAK, YOSSEF, CADET, JEAN L., SLIKKER JR, WILLIAM, ALI, SYED F.

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Structure and vibrational spectra of carbon clusters Cn (n = 2–10, 12, 14, 16, 18) using density functional theory including exact exchange contributions von M.L. Martin, Jan, El-Yazal, Jamal, François, Jean-Pierre

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Novel Stable Configurations and Tautomers of the Neutral and Deprotonated Hydroxamic Acids Predicted from High-Level ab Initio Calculations von El Yazal, Jamal, Pang, Yuan-Ping

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Structure and relative energetics of C2n+1 (n = 2−7) carbon clusters using coupled cluster and hybrid density functional methods von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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Zinc's Affect on Proton Transfer between Imidazole and Acetate Predicted by ab Initio Calculations von El Yazal, Jamal, Roe, Rachel R, Pang, Yuan-Ping

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Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach von PANG, YUAN-PING, XU, KUN, YAZAL, JAMAL EL, PRENDERGAST, FRANKLYN G.

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Predicted Michaelis-Menten Complexes of Cocaine-Butyrylcholinesterase von Sun, Hong, El Yazal, Jamal, Lockridge, Oksana, Schopfer, Lawrence M., Brimijoin, Stephen, Pang, Yuan-Ping

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Structure and Vibrational Spectrum of Some Polycyclic Aromatic Compounds Studied by Density Functional Theory. 1. Naphthalene, Azulene, Phenanthrene, and Anthracene von Martin, Jan M. L, El-Yazal, Jamal, François, Jean-Pierre

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Predicted Michaelis-Menten complexes of cocaine-butyrylcholinesterase. Engineering effective butyrylcholinesterase mutants for cocaine detoxication von Sun, H, El Yazal, J, Lockridge, O, Schopfer, L M, Brimijoin, S, Pang, Y P

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Structure and vibrational spectra of carbon clusters C n ( n = 2–10, 12, 14, 16, 18) using density functional theory including exact exchange contributions von M.L. Martin, Jan, El-Yazal, Jamal, François, Jean-Pierre

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Prediction of organophosphorus acetylcholinesterase inhibition using three-dimensional quantitative structure-activity relationship (3D-QSAR) methods von EL YAZAL, Jamal, RAO, Shashidhar N, MEHL, Adrea, SLIKKER, William JR

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Proton Dissociation Energies of Zinc-Coordinated Hydroxamic Acids and Their Relative Affinities for Zinc:  Insight into Design of Inhibitors of Zinc-Containing Proteinases von El Yazal, Jamal, Pang, Yuan-Ping

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Basis set convergence and performance of density functional theory including exact exchange contributions for geometries and harmonic frequencies von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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On the structure and vibrational frequencies of C20 von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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On the structure and vibrational frequencies of C 20 von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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On the structure and vibrational frequencies of C24 von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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On the structure and vibrational frequencies of C 24 von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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Structure and vibrations of BnNn (n = 3–10) von Martin, Jan M.L., El-Yazal, Jamal, François, Jean-Pierre

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