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Protein structure databases

New Binding Site Conformations of the Dengue Virus NS3 Protease Accessed by Molecular Dynamics Simulation

Hugo de Almeida, Izabela M. D. Bastos, Bergmann M. Ribeiro, Bernard Maigret, Jaime M. Santana

published 21 Aug 2013

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Deciphering the Glycan Preference of Bacterial Lectins by Glycan Array and Molecular Docking with Validation by Microcalorimetry and Crystallography

Jeremie Topin, Julie Arnaud, Anita Sarkar, Aymeric Audfray, Emilie Gillon, Serge Perez, Helene Jamet, Annabelle Varrot, Anne Imberty, Aline Thomas

published 19 Aug 2013

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Identification of Potential Plk1 Targets in a Cell-Cycle Specific Proteome through Structural Dynamics of Kinase and Polo Box-Mediated Interactions

Nousheen Bibi, Zahida Parveen, Sajid Rashid

published 15 Aug 2013

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Homology Modeling of the CheW Coupling Protein of the Chemotaxis Signaling Complex

Derek J. Cashman, Davi R. Ortega, Igor B. Zhulin, Jerome Baudry

published 07 Aug 2013

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A Computational Module Assembled from Different Protease Family Motifs Identifies PI PLC from Bacillus cereus as a Putative Prolyl Peptidase with a Serine Protease Scaffold

Adela Rendón-Ramírez, Manish Shukla, Masataka Oda, Sandeep Chakraborty, Renu Minda, Abhaya M. Dandekar, Bjarni Ásgeirsson, Félix M. Goñi, Basuthkar J. Rao

published 05 Aug 2013

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Transmembrane Protein Alignment and Fold Recognition Based on Predicted Topology

Han Wang, Zhiquan He, Chao Zhang, Li Zhang, Dong Xu

published 19 Jul 2013

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Effects of NMR Spectral Resolution on Protein Structure Calculation

Suhas Tikole, Victor Jaravine, Vladislav Yu. Orekhov, Peter Güntert

published 16 Jul 2013

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The PyRosetta Toolkit: A Graphical User Interface for the Rosetta Software Suite

Jared Adolf-Bryfogle, Roland L. Dunbrack Jr.

published 09 Jul 2013

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Drug Promiscuity in PDB: Protein Binding Site Similarity Is Key

V. Joachim Haupt, Simone Daminelli, Michael Schroeder

published 21 Jun 2013

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Proteolytic Characteristics of Cathepsin D Related to the Recognition and Cleavage of Its Target Proteins

Huiying Sun, Xiaomin Lou, Qiang Shan, Ju Zhang, Xu Zhu, Jia Zhang, Yang Wang, Yingying Xie, Ningzhi Xu, Siqi Liu

published 20 Jun 2013

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Insights into an Original Pocket-Ligand Pair Classification: A Promising Tool for Ligand Profile Prediction

Stéphanie Pérot, Leslie Regad, Christelle Reynès, Olivier Spérandio, Maria A. Miteva, Bruno O. Villoutreix, Anne-Claude Camproux

published 20 Jun 2013

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LAMP: A Database Linking Antimicrobial Peptides

Xiaowei Zhao, Hongyu Wu, Hairong Lu, Guodong Li, Qingshan Huang

published 18 Jun 2013

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Structural Modeling and In Silico Analysis of Human Superoxide Dismutase 2

Mariana Dias Castela de Carvalho, Joelma Freire De Mesquita

published 13 Jun 2013

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