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Molecular structure

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

Federica Cossu, Mario Milani, Patrice Vachette, Francesca Malvezzi, Serena Grassi, Daniele Lecis, Domenico Delia, Carmelo Drago, Pierfausto Seneci, Martino Bolognesi, Eloise Mastrangelo

published 15 Nov 2012

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

Deli Irene, Tse-Yu Chung, Bo-Jiun Chen, Ting-Hang Liu, Feng-Yin Li, Jason T. C. Tzen, Cheng-I Wang, Chia-Lin Chyan

published 06 Nov 2012

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

Michael Leguèbe, Chuong Nguyen, Luciana Capece, Zung Hoang, Alejandro Giorgetti, Paolo Carloni

published 19 Oct 2012

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

Christine S. Schwaiger, Sara I. Börjesson, Berk Hess, Björn Wallner, Fredrik Elinder, Erik Lindahl

published 19 Oct 2012

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Crystal Structure of Cryptosporidium parvum Pyruvate Kinase

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

published 09 Oct 2012

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

Laura Guasch, Esther Sala, María José Ojeda, Cristina Valls, Cinta Bladé, Miquel Mulero, Mayte Blay, Anna Ardévol, Santiago Garcia-Vallvé, Gerard Pujadas

published 21 Sep 2012

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

Manwu Zha, Chen Zhong, Ying Ou, Li Han, Jianchuan Wang, Jianping Ding

published 20 Sep 2012

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Sirt5 Deacylation Activities Show Differential Sensitivities to Nicotinamide Inhibition

Frank Fischer, Melanie Gertz, Benjamin Suenkel, Mahadevan Lakshminarasimhan, Mike Schutkowski, Clemens Steegborn

published 19 Sep 2012

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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 Ramón Moyano, Jaime Villaverde, María Eulalia Gómez-Pantoja, José Ignacio Pérez-Martínez

published 19 Sep 2012

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

Michael C. Cavalier, Young-Sun Yim, Shumpei Asamizu, David Neau, Khaled H. Almabruk, Taifo Mahmud, Yong-Hwan Lee

published 13 Sep 2012

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

Laura Guasch, Maria José Ojeda, Noemí González-Abuín, Esther Sala, Adrià Cereto-Massagué, Miquel Mulero, Cristina Valls, Montserrat Pinent, Anna Ardévol, Santiago Garcia-Vallvé, Gerard Pujadas

published 12 Sep 2012

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Dynamics of Ceramide Channels Detected Using a Microfluidic System

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

published 12 Sep 2012

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

Jack U. Flanagan, Yuliana Yosaatmadja, Rebecca M. Teague, Matilda Z. L. Chai, Andrew P. Turnbull, Christopher J. Squire

published 28 Aug 2012

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