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Protein structure databases

Unveiling the Mechanism of Arginine Transport through AdiC with Molecular Dynamics Simulations: The Guiding Role of Aromatic Residues

Eva-Maria Krammer, Kassem Ghaddar, Bruno André, Martine Prévost

published 02 Aug 2016

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Genome-Wide Prediction and Analysis of 3D-Domain Swapped Proteins in the Human Genome from Sequence Information

Atul Kumar Upadhyay, Ramanathan Sowdhamini

published 28 Jul 2016

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Identification of a 3^rd Na⁺ Binding Site of the Glycine Transporter, GlyT2

Nandhitha Subramanian, Amanda J. Scopelitti, Jane E. Carland, Renae M. Ryan, Megan L. O’Mara, Robert J. Vandenberg

published 23 Jun 2016

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Examining the Conservation of Kinks in Alpha Helices

Eleanor C. Law, Henry R. Wilman, Sebastian Kelm, Jiye Shi, Charlotte M. Deane

published 17 Jun 2016

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Use of an Improved Matching Algorithm to Select Scaffolds for Enzyme Design Based on a Complex Active Site Model

Xiaoqiang Huang, Jing Xue, Min Lin, Yushan Zhu

published 31 May 2016

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Computational Framework for Prediction of Peptide Sequences That May Mediate Multiple Protein Interactions in Cancer-Associated Hub Proteins

Debasree Sarkar, Piya Patra, Abhirupa Ghosh, Sudipto Saha

published 24 May 2016

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G-Protein/β-Arrestin-Linked Fluctuating Network of G-Protein-Coupled Receptors for Predicting Drug Efficacy and Bias Using Short-Term Molecular Dynamics Simulation

Osamu Ichikawa, Kazushi Fujimoto, Atsushi Yamada, Susumu Okazaki, Kazuto Yamazaki

published 17 May 2016

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Vinardo: A Scoring Function Based on Autodock Vina Improves Scoring, Docking, and Virtual Screening

Rodrigo Quiroga, Marcos A. Villarreal

published 12 May 2016

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Addressing the Role of Conformational Diversity in Protein Structure Prediction

Nicolas Palopoli, Alexander Miguel Monzon, Gustavo Parisi, Maria Silvina Fornasari

published 09 May 2016

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Estimation of Uncertainties in the Global Distance Test (GDT_TS) for CASP Models

Wenlin Li, R. Dustin Schaeffer, Zbyszek Otwinowski, Nick V. Grishin

published 05 May 2016

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Rational Structure-Based Rescaffolding Approach to De Novo Design of Interleukin 10 (IL-10) Receptor-1 Mimetics

Gloria Ruiz-Gómez, John C. Hawkins, Jenny Philipp, Georg Künze, Robert Wodtke, Reik Löser, Karim Fahmy, M. Teresa Pisabarro

published 28 Apr 2016

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Viral Evolved Inhibition Mechanism of the RNA Dependent Protein Kinase PKR's Kinase Domain, a Structural Perspective

K. Hari Krishna, Yallamandayya Vadlamudi, Muthuvel Suresh Kumar

published 18 Apr 2016

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Cupincin: A Unique Protease Purified from Rice (Oryza sativa L.) Bran Is a New Member of the Cupin Superfamily

Roopesh Sreedhar, Purnima Kaul Tiku

published 11 Apr 2016

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