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Molecular structure

Structural Insight into Inhibitor of Apoptosis Proteins Recognition by a Potent Divalent Smac-Mimetic

Federica Cossu, Mario Milani, [ ... ], Eloise Mastrangelo

Solution Structure of a Phytocystatin from Ananas comosus and Its Molecular Interaction with Papain

Deli Irene, Tse-Yu Chung, [ ... ], Chia-Lin Chyan

Hybrid Molecular Mechanics/Coarse-Grained Simulations for Structural Prediction of G-Protein Coupled Receptor/Ligand Complexes

Michael Leguèbe, Chuong Nguyen, [ ... ], Paolo Carloni

The Free Energy Barrier for Arginine Gating Charge Translation Is Altered by Mutations in the Voltage Sensor Domain

Christine S. Schwaiger, Sara I. Börjesson, [ ... ], Erik Lindahl

Crystal Structure of Cryptosporidium parvum Pyruvate Kinase

William J. Cook, Olga Senkovich, Khadijah Aleem, Debasish Chattopadhyay

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part II): In Silico Prediction in Antidiabetic Extracts

Laura Guasch, Esther Sala, [ ... ], Gerard Pujadas

Crystal Structures of Human CaMKIα Reveal Insights into the Regulation Mechanism of CaMKI

Manwu Zha, Chen Zhong, [ ... ], Jianping Ding

Sirt5 Deacylation Activities Show Differential Sensitivities to Nicotinamide Inhibition

Frank Fischer, Melanie Gertz, [ ... ], Clemens Steegborn

Enhanced Solubilisation of Six PAHs by Three Synthetic Cyclodextrins for Remediation Applications: Molecular Modelling of the Inclusion Complexes

Esmeralda Morillo, María Antonia Sánchez-Trujillo, [ ... ], José Ignacio Pérez-Martínez

Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex

Michael C. Cavalier, Young-Sun Yim, [ ... ], Yong-Hwan Lee

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

Laura Guasch, Maria José Ojeda, [ ... ], Gerard Pujadas

Dynamics of Ceramide Channels Detected Using a Microfluidic System

Chenren Shao, Bing Sun, Don L. DeVoe, Marco Colombini

Crystal Structures of Three Classes of Non-Steroidal Anti-Inflammatory Drugs in Complex with Aldo-Keto Reductase 1C3

Jack U. Flanagan, Yuliana Yosaatmadja, [ ... ], Christopher J. Squire

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