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Solid state physics

Targeting Acetylcholinesterase: Identification of Chemical Leads by High Throughput Screening, Structure Determination and Molecular Modeling

Lotta Berg, C. David Andersson, [ ... ], Fredrik Ekström

A Catalytic Mechanism for Cysteine N-Terminal Nucleophile Hydrolases, as Revealed by Free Energy Simulations

Alessio Lodola, Davide Branduardi, [ ... ], Andrea Cavalli

Structural, Kinetic and Proteomic Characterization of Acetyl Phosphate-Dependent Bacterial Protein Acetylation

Misty L. Kuhn, Bozena Zemaitaitis, [ ... ], Alan J. Wolfe

Structure of HI-6•Sarin-Acetylcholinesterase Determined by X-Ray Crystallography and Molecular Dynamics Simulation: Reactivator Mechanism and Design

Fredrik Ekström, Andreas Hörnberg, [ ... ], Yuan-Ping Pang

Locking the 150-Cavity Open: In Silico Design and Verification of Influenza Neuraminidase Inhibitors

Nanyu Han, Yuguang Mu

Microsecond Molecular Dynamics Simulations of Intrinsically Disordered Proteins Involved in the Oxidative Stress Response

Elio A. Cino, Jirasak Wong-ekkabut, Mikko Karttunen, Wing-Yiu Choy

A Comparison of the Crystal Structures of Eukaryotic and Bacterial SSU Ribosomal RNAs Reveals Common Structural Features in the Hypervariable Regions

Jung C. Lee, Robin R. Gutell

Dolutegravir Interactions with HIV-1 Integrase-DNA: Structural Rationale for Drug Resistance and Dissociation Kinetics

Felix DeAnda, Kendra E. Hightower, [ ... ], Mark R. Underwood

A Broadly Flavivirus Cross-Neutralizing Monoclonal Antibody that Recognizes a Novel Epitope within the Fusion Loop of E Protein

Yong-Qiang Deng, Jian-Xin Dai, [ ... ], Cheng-Feng Qin

Rationalization and Design of the Complementarity Determining Region Sequences in an Antibody-Antigen Recognition Interface

Chung-Ming Yu, Hung-Pin Peng, [ ... ], An-Suei Yang

An All-Atom Model of the Chromatin Fiber Containing Linker Histones Reveals a Versatile Structure Tuned by the Nucleosomal Repeat Length

Hua Wong, Jean-Marc Victor, Julien Mozziconacci

A Molecular Ruler for Measuring Quantitative Distance Distributions

Rebecca S. Mathew-Fenn, Rhiju Das, [ ... ], Pehr A. B. Harbury

Molecular Mechanisms of Bortezomib Resistant Adenocarcinoma Cells

Erika Suzuki, Susan Demo, [ ... ], Christopher J. Kirk

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