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Computer Simulation of Ion Cluster Speciation in Concentrated Aqueous Solutions at Ambient Conditions S. A. Hassan; J. Phys. Chem. B 112, 10573 (2008)  2008 [Abstract] [Full Article]

J. Pavlicek, S. L. Coon, S. Ganguly, J. L. Weller, S. A. Hassan, D. L. Sackett, and D. C. Klein "Evidence that Proline Focuses Movement of the Floppy Loop of Arylalkylamine N-Acetyltransferase" J. Biol. Chem. 283, 14552 (2008)  2008 [Abstract] [Full Article]

S. A. Hassan Morphology of Ion Clusters in Aqueous Electrolytes; Phy. Rev. E 77, 031501 (2008)  2008 [Abstract] [Full Article]

S. A. Hassan, "Liquid-Structure Forces and Electrostatic Modulation of Biomolecular Interactions in Solution", J. Phys. Chem. B 111 , 227 (2007)  2007 [Abstract] [Full Article]

E L Mehler, S A Hassan, S Kortagere and H Weinstein "Ab Initio Computer Modeling of loops in G-Protein Coupled Receptors: Lessons from the Crystal Structure of Rhodopsin" Proteins 64, 673 (2006)  2006 [Abstract] [Full Article]

SA Hassan, G Hummer, and YS Lee "Effects of Electric Fields on Proton Transport through Water Chains" J. Chem. Phys. 124, 204510 (2006)  2006 [Abstract] [Full Article]

Li X, Hassan SA, Mehler EL "Long Dynamics Simulations of Proteins using Atomistic Forcefields and Continuum Representation of Solvent Effects: Calculation of Structural and Dynamics Properties" Proteins 60:464-484 (2006)  2006 [Full Article]

Sergio A. Hassan "Amino Acid Side Chain Interactions in the Presence of Salts" J. Phys. Chem. B 109:21989 (2005)  2005 [full article pdf]

Hassan SA, Mehler EL "From Quantum Chemistry and the Classical Theory of Polar Liquids to Continuum Approximations in Molecular Mechanics Calculations" Int. J. Quant. Chem. 102:986-1001 (2005)  2005 [full article pdf]

Hassan SA, Gracia L, Vasudevan G, Steinbach PJ "Computer Simulation of Protein-Ligand Interactions: Challenges and Applications." Protein-Ligand Interactions: Methods and Applications Nienhaus, G. Ulrich, editor. Humana Press. pp. 451-492 (2005)  2005

Filizola M, Hassan SA, Artoni A, Coller BS, Weinstein H"Mechanistic Insights from a Refined Three-dimensional Model of Integrin aphaIIb-beta3" J. Biol. Chem. 279:24624 (2004)  2004 [PubMed]

Hassan SA "Intermolecular Potentials of Mean Force of Amino Acid Side Chain Interactions in Aqueous Medium" J. Phys. Chem. B 108:19501 (2004)  2004 [full article pdf]