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Protein structure databases

SWEETLEAD: an In Silico Database of Approved Drugs, Regulated Chemicals, and Herbal Isolates for Computer-Aided Drug Discovery

Paul A. Novick, Oscar F. Ortiz, Jared Poelman, Amir Y. Abdulhay, Vijay S. Pande

published 01 Nov 2013

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Identification of New Sphingomyelinases D in Pathogenic Fungi and Other Pathogenic Organisms

Camila Dias-Lopes, Izabella A. P. Neshich, Goran Neshich, José Miguel Ortega, Claude Granier, Carlos Chávez-Olortegui, Franck Molina, Liza Felicori

published 01 Nov 2013

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Tracking 20 Years of Compound-to-Target Output from Literature and Patents

Christopher Southan, Peter Varkonyi, Kiran Boppana, Sarma A.R.P. Jagarlapudi, Sorel Muresan

published 29 Oct 2013

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Classification of α-Helical Membrane Proteins Using Predicted Helix Architectures

Sindy Neumann, Angelika Fuchs, Barbara Hummel, Dmitrij Frishman

published 25 Oct 2013

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Confidence-Guided Local Structure Prediction with HHfrag

Ivan Kalev, Michael Habeck

published 16 Oct 2013

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Comparative Analysis of the Tyr-Kinases CapB1 and CapB2 Fused to Their Cognate Modulators CapA1 and CapA2 from Staphylococcus aureus

Jakub Gruszczyk, Vanesa Olivares-Illana, Julien Nourikyan, Aurore Fleurie, Emmanuelle Béchet, Virginie Gueguen-Chaignon, Céline Freton, Magali Aumont-Nicaise, Solange Moréra, Christophe Grangeasse, Sylvie Nessler

published 11 Oct 2013

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Dynamics of Bcl-xL in Water and Membrane: Molecular Simulations

Atanu Maity, Seema Yadav, Chandra S. Verma, Shubhra Ghosh Dastidar

published 08 Oct 2013

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Structural Differences between the Avian and Human H7N9 Hemagglutinin Proteins Are Attributable to Modifications in Salt Bridge Formation: A Computational Study with Implications in Viral Evolution

Marni E. Cueno, Kenichi Imai, Muneaki Tamura, Kuniyasu Ochiai

published 07 Oct 2013

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Structural Characterization of the Binding Interactions of Various Endogenous Estrogen Metabolites with Human Estrogen Receptor α and β Subtypes: A Molecular Modeling Study

Pan Wang, Campbell McInnes, Bao Ting Zhu

published 30 Sep 2013

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The Structure of Neuronal Calcium Sensor-1 in Solution Revealed by Molecular Dynamics Simulations

Luca Bellucci, Stefano Corni, Rosa Di Felice, Emanuele Paci

published 30 Sep 2013

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Cross-Link Guided Molecular Modeling with ROSETTA

Abdullah Kahraman, Franz Herzog, Alexander Leitner, George Rosenberger, Ruedi Aebersold, Lars Malmström

published 17 Sep 2013

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Protein Similarity Networks Reveal Relationships among Sequence, Structure, and Function within the Cupin Superfamily

Richard Uberto, Ellen W. Moomaw

published 06 Sep 2013

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Predicting Binding within Disordered Protein Regions to Structurally Characterised Peptide-Binding Domains

Waqasuddin Khan, Fergal Duffy, Gianluca Pollastri, Denis C. Shields, Catherine Mooney

published 03 Sep 2013

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