Exploring the structural conformations of amyloid-beta oligomers on self-assembled monolayers and in water under confinement, a molecular dynamics study von Ren, Polly, Haddadian, Esmael J.

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Automated Real-Space Refinement of Protein Structures Using a Realistic Backbone Move Set von Haddadian, Esmael J., Gong, Haipeng, Jha, Abhishek K., Yang, Xiaojing, DeBartolo, Joe, Hinshaw, James R., Rice, Phoebe A., Sosnick, Tobin R., Freed, Karl F.

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Comparative Study of the Collective Dynamics of Proteins and Inorganic Nanoparticles von Haddadian, Esmael J., Zhang, Hao, Freed, Karl F., Douglas, Jack F.

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The 2.5 Å Structure of CD1c in Complex with a Mycobacterial Lipid Reveals an Open Groove Ideally Suited for Diverse Antigen Presentation von Scharf, Louise, Li, Nan-Sheng, Hawk, Andrew J., Garzón, Diana, Zhang, Tejia, Fox, Lisa M., Kazen, Allison R., Shah, Sneha, Haddadian, Esmael J., Gumperz, Jenny E., Saghatelian, Alan, Faraldo-Gómez, José D., Meredith, Stephen C., Piccirilli, Joseph A., Adams, Erin J.

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Context and Force Field Dependence of the Loss of Protein Backbone Entropy upon Folding Using Realistic Denatured and Native State Ensembles von Baxa, Michael C, Haddadian, Esmael J, Jha, Abhishek K, Freed, Karl F, Sosnick, Tobin R

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Higher Susceptibility to Halothane Modulation in Open- Than in Closed-Channel α4β2 nAChR Revealed by Molecular Dynamics Simulations von Liu, Lu Tian, Haddadian, Esmael J, Willenbring, Dan, Xu, Yan, Tang, Pei

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In Silico Models for the Human α4β2 Nicotinic Acetylcholine Receptor von Haddadian, Esmael J, Cheng, Mary Hongying, Coalson, Rob D, Xu, Yan, Tang, Pei

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Structure determination of amyloid-β oligomers (40-, 42-residues) with AlphaFold2 von Mitchell, Gideon S., Haddadian, Esmael J.

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Unresponsive Correlated Motion in α7 nAChR to Halothane Binding Explains Its Functional Insensitivity to Volatile Anesthetics von Mowrey, David, Haddadian, Esmael J, Liu, Lu Tian, Willenbring, Dan, Xu, Yan, Tang, Pei

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The C55 Peptide Portion of the Amyloid Precurosr Protein can Form Stable Dimers von Croitoru, Ethan, Haddadian, Esmael J.

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Molecular dynamical analysis of potential dimers produced by C55 portion of the amyloid precursor protein von Roy, Ishaan, Farrell, Joseph, Haddadian, Esmael J.

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Identifying Conformations of Amyloid Precursor Protein Dimer Structures von Gonzalez, Alexander, Usadi, Jacob B., Haddadian, Esmael J.

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A New Open Structure of the Insulin Degrading Enzyme Provides Insights into the Conformational Transition of the Molecule von Sapoval, Nicolae, Haddadian, Esmael J., Jen Tang, Wei

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Kinetic Modeling of Weak Base nAChR Ligand Selective Trapping within Intracellular Acidic Vesicles: Insights into Mechanisms Underlying Nicotine Addiction and Smoking Cessation von Liu, Yuqi, Trapp, Stefan, Green, William N., Haddadian, Esmael J.

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Water Dynamics and Interactions Inside Amyloid-Beta Fibrils von Natesh, Sachin, Hummels, Alex R., Sachleben, Joseph R., Sosnick, Tobin R., Freed, Karl F., Meredith, Stephen C., Haddadian, Esmael J.

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The Conformation of Aβ-Peptide Aggregates on 2D Surfaces is Different than in Solution: A Molecular Dynamics Study von Natesh, Sachin R., Freed, Kark F., Haddadian, Esmael J.

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A Dynamical Model for Insulin Degrading Enzyme Conformational Transition between Closed and Open States von Cronin, Michael F., Yu, Wookyung, Tang, Wei-Jen, Haddadian, Esmael J.

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Surface Interactions Restricts Amyloid-β Peptides Movements Resulting in their Rapid Self-Assembly into β Sheets; a Molecular Dynamics Study von Doilicho, Natnael B., Freed, Karl F., Haddadian, Esmael J.

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The Differences in Dynamics and Stability of the Wild Type Beta-Amyloid Aβ1-40, and ΔE22-Aβ1-39 (Japanese) Mutant, a Molecular Dynamics Study von Wang, Zongan, Freed, Karl, Haddadian, Esmael J.

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Aβ Fibrils Act as Aqueous Pores: A Molecular Dynamics Study von Natesh, Sachin R., Meredith, Stephen C., Sosnick, Tobin R., Freed, Karl F., Haddadian, Esmael J.

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