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Molecular structure

Computational Study of a Model System of Enzyme-Mediated [4+2] Cycloaddition Reaction

Evgeniy G. Gordeev, Valentine P. Ananikov

published 08 Apr 2015

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Optimal Ligand Descriptor for Pocket Recognition Based on the Beta-Shape

Jae-Kwan Kim, Chung-In Won, Jehyun Cha, Kichun Lee, Deok-Soo Kim

published 02 Apr 2015

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Crystal Structure of the FLT3 Kinase Domain Bound to the Inhibitor Quizartinib (AC220)

Julie A. Zorn, Qi Wang, Eric Fujimura, Tiago Barros, John Kuriyan

published 02 Apr 2015

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Mycobacterial Dihydrofolate Reductase Inhibitors Identified Using Chemogenomic Methods and In Vitro Validation

Grace Mugumbate, Katherine A. Abrahams, Jonathan A. G. Cox, George Papadatos, Gerard van Westen, Joël Lelièvre, Szymon T. Calus, Nicholas J. Loman, Lluis Ballell, David Barros, John P. Overington, Gurdyal S. Besra

published 23 Mar 2015

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Conjoined Use of EM and NMR in RNA Structure Refinement

Zhou Gong, Charles D. Schwieters, Chun Tang

published 23 Mar 2015

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Synthesis, Spectral Characterization and Crystals Structure of some Arsane Derivatives of Gold (I) Complexes: A Comparative Density Functional Theory Study

Omar bin Shawkataly, Chin-Ping Goh, Abu Tariq, Imthyaz Ahmad Khan, Hoong-Kun Fun, Mohd Mustaqim Rosli

published 23 Mar 2015

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Structural and Enzymatic Characterization of the Choline Kinase LicA from Streptococcus pneumoniae

Lei Wang, Yong-Liang Jiang, Jing-Ren Zhang, Cong-Zhao Zhou, Yuxing Chen

published 17 Mar 2015

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Quantitative Structure-Property Relationship (QSPR) Modeling of Drug-Loaded Polymeric Micelles via Genetic Function Approximation

Wensheng Wu, Canyang Zhang, Wenjing Lin, Quan Chen, Xindong Guo, Yu Qian, Lijuan Zhang

published 17 Mar 2015

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On the Role of Protein Disulfide Isomerase in the Retrograde Cell Transport of Secreted Phospholipases A₂

Jernej Oberčkal, Lidija Kovačič, Jernej Šribar, Adrijana Leonardi, Klemen Dolinar, Anja Pucer Janež, Igor Križaj

published 12 Mar 2015

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Discovery of Novel New Delhi Metallo-β-Lactamases-1 Inhibitors by Multistep Virtual Screening

Xuequan Wang, Meiling Lu, Yang Shi, Yu Ou, Xiaodong Cheng

published 03 Mar 2015

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Structure of the SthK Carboxy-Terminal Region Reveals a Gating Mechanism for Cyclic Nucleotide-Modulated Ion Channels

Divya Kesters, Marijke Brams, Mieke Nys, Eveline Wijckmans, Radovan Spurny, Thomas Voets, Jan Tytgat, Jana Kusch, Chris Ulens

published 27 Jan 2015

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An Improved Model for the hTERT Promoter Quadruplex

Jonathan B. Chaires, John O. Trent, Robert D. Gray, William L. Dean, Robert Buscaglia, Shelia D. Thomas, Donald M. Miller

published 19 Dec 2014

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Electrostatic Effects in the Folding of the SH3 Domain of the c-Src Tyrosine Kinase: pH-Dependence in 3D-Domain Swapping and Amyloid Formation

Julio Bacarizo, Sergio Martinez-Rodriguez, Jose Manuel Martin-Garcia, Montserrat Andujar-Sanchez, Emilia Ortiz-Salmeron, Jose Luis Neira, Ana Camara-Artigas

published 09 Dec 2014

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