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Crystal structure

Continuum Molecular Simulation of Large Conformational Changes during Ion–Channel Gating

Ali Nekouzadeh, Yoram Rudy

Four Small Puzzles That Rosetta Doesn't Solve

Rhiju Das

Molecular Design, Functional Characterization and Structural Basis of a Protein Inhibitor Against the HIV-1 Pathogenicity Factor Nef

Sebastian Breuer, Simone I. Schievink, [ ... ], Matthias Geyer

Modeling a New Water Channel That Allows SET9 to Dimethylate p53

Qifeng Bai, Yulin Shen, [ ... ], Jinbo Yang

Crystal Structure of the PAC1R Extracellular Domain Unifies a Consensus Fold for Hormone Recognition by Class B G-Protein Coupled Receptors

Shiva Kumar, Augen Pioszak, [ ... ], H. Eric Xu

Insight into the Interaction of Metal Ions with TroA from Streptococcus suis

Beiwen Zheng, Qiangmin Zhang, [ ... ], George F. Gao

Systematic Exploitation of Multiple Receptor Conformations for Virtual Ligand Screening

Giovanni Bottegoni, Walter Rocchia, [ ... ], Andrea Cavalli

Crystal Structures of Two Aminoglycoside Kinases Bound with a Eukaryotic Protein Kinase Inhibitor

Desiree H. Fong, Bing Xiong, Jiyoung Hwang, Albert M. Berghuis

Histidine-Mediated pH-Sensitive Regulation of M-Ficolin:GlcNAc Binding Activity in Innate Immunity Examined by Molecular Dynamics Simulations

Lifeng Yang, Jing Zhang, Bow Ho, Jeak Ling Ding

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

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

A Bioinformatics Approach to the Structure, Function, and Evolution of the Nucleoprotein of the Order Mononegavirales

Sean B. Cleveland, John Davies, Marcella A. McClure

Mapping the Conformational Dynamics and Pathways of Spontaneous Steric Zipper Peptide Oligomerization

Dirk Matthes, Vytautas Gapsys, Venita Daebel, Bert L. de Groot

Identification and Modulation of the Key Amino Acid Residue Responsible for the pH Sensitivity of Neoculin, a Taste-Modifying Protein

Ken-ichiro Nakajima, Kanako Yokoyama, [ ... ], Keiko Abe

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