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Solid state physics

Structure, Dynamics, and Interaction of Mycobacterium tuberculosis (Mtb) DprE1 and DprE2 Examined by Molecular Modeling, Simulation, and Electrostatic Studies

Isha Bhutani, Saurabh Loharch, [ ... ], Raman Parkesh

Crystal Structures of the Transcriptional Repressor RolR Reveals a Novel Recognition Mechanism between Inducer and Regulator

De-Feng Li, Ning Zhang, [ ... ], Da-Cheng Wang

Small Molecule Inhibitors of the LEDGF Site of Human Immunodeficiency Virus Integrase Identified by Fragment Screening and Structure Based Design

Thomas S. Peat, David I. Rhodes, [ ... ], John J. Deadman

Crystal Structure of Alcohol Oxidase from Pichia pastoris

Christian Koch, Piotr Neumann, [ ... ], Ralf Ficner

Synergic Effect between Adsorption and Photocatalysis of Metal-Free g-C₃N₄ Derived from Different Precursors

Huan-Yan Xu, Li-Cheng Wu, [ ... ], Shu-Yan Qi

Improved Success of Sparse Matrix Protein Crystallization Screening with Heterogeneous Nucleating Agents

Anil S. Thakur, Gautier Robin, [ ... ], Bostjan Kobe

Structural Characterization of a Recombinant Fusion Protein by Instrumental Analysis and Molecular Modeling

Zhigang Wu, Peng Zhou, [ ... ], Jian Huang

Adding Diverse Noncanonical Backbones to Rosetta: Enabling Peptidomimetic Design

Kevin Drew, P. Douglas Renfrew, [ ... ], Richard Bonneau

Mechanism of Inhibition of the Human Sirtuin Enzyme SIRT3 by Nicotinamide: Computational and Experimental Studies

Xiangying Guan, Ping Lin, Eric Knoll, Raj Chakrabarti

Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases

Ivan Laponogov, Xiao-Su Pan, [ ... ], Mark R. Sanderson

Structural Comparison of Human Mammalian Ste20-Like Kinases

Christopher J. Record, Apirat Chaikuad, [ ... ], Wen Hwa Lee

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

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

Analysis of In-Vivo LacR-Mediated Gene Repression Based on the Mechanics of DNA Looping

Yongli Zhang, Abbye E. McEwen, Donald M. Crothers, Stephen D. Levene

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