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Molecular structure

Novel Virtual Screening Approach for the Discovery of Human Tyrosinase Inhibitors

Ni Ai, William J. Welsh, Uma Santhanam, Hong Hu, John Lyga

published 26 Nov 2014

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Protein Loop Modeling Using a New Hybrid Energy Function and Its Application to Modeling in Inaccurate Structural Environments

Hahnbeom Park, Gyu Rie Lee, Lim Heo, Chaok Seok

published 24 Nov 2014

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How Does Domain Replacement Affect Fibril Formation of the Rabbit/Human Prion Proteins

Xu Yan, Jun-Jie Huang, Zheng Zhou, Jie Chen, Yi Liang

published 17 Nov 2014

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Poly(Ethylene Glycol) as a Scaffold for High-Affinity Open-Channel Blockers of the Mouse Nicotinic Acetylcholine Receptor

Wan-Chen Lin, Stuart Licht

published 11 Nov 2014

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The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy

Chandrasekhar Venkata, Mark J. Forster, Peter W. A. Howe, Christoph Steinbeck

published 03 Nov 2014

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Biophysically Inspired Rational Design of Structured Chimeric Substrates for DNAzyme Cascade Engineering

Matthew R. Lakin, Carl W. Brown III, Eli K. Horwitz, M. Leigh Fanning, Hannah E. West, Darko Stefanovic, Steven W. Graves

published 27 Oct 2014

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A Polyketide Synthase Acyltransferase Domain Structure Suggests a Recognition Mechanism for Its Hydroxymalonyl-Acyl Carrier Protein Substrate

Hyunjun Park, Brian M. Kevany, David H. Dyer, Michael G. Thomas, Katrina T. Forest

published 23 Oct 2014

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Rational Design of Small-Molecule Stabilizers of Spermine Synthase Dimer by Virtual Screening and Free Energy-Based Approach

Zhe Zhang, Virginie Martiny, David Lagorce, Yoshihiko Ikeguchi, Emil Alexov, Maria A. Miteva

published 23 Oct 2014

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Non-Contact Analysis of the Adsorptive Ink Capacity of Nano Silica Pigments on a Printing Coating Base

Bo Jiang, Yu Dong Huang

published 16 Oct 2014

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Targeting Mitochondria by Zn(II)N-Alkylpyridylporphyrins: The Impact of Compound Sub-Mitochondrial Partition on Cell Respiration and Overall Photodynamic Efficacy

Ahmad M. Odeh, James D. Craik, Rima Ezzeddine, Artak Tovmasyan, Ines Batinic-Haberle, Ludmil T. Benov

published 24 Sep 2014

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Simulation of Force Spectroscopy Experiments on Galacturonic Acid Oligomers

Justyna Cybulska, Agnieszka Brzyska, Artur Zdunek, Krzysztof Woliński

published 17 Sep 2014

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Structure of the N-Terminal Gyrase B Fragment in Complex with ADP⋅P_i Reveals Rigid-Body Motion Induced by ATP Hydrolysis

Frédéric V. Stanger, Christoph Dehio, Tilman Schirmer

published 09 Sep 2014

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Viral RNAs Are Unusually Compact

Ajaykumar Gopal, Defne E. Egecioglu, Aron M. Yoffe, Avinoam Ben-Shaul, Ayala L. N. Rao, Charles M. Knobler, William M. Gelbart

published 04 Sep 2014

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