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Molecular structure

Reaction Trajectory Revealed by a Joint Analysis of Protein Data Bank

Zhong Ren

published 11 Nov 2013

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Reassessment of the Unique Mode of Binding between Angiotensin II Type 1 Receptor and Their Blockers

Shin-Ichiro Miura, Naoki Nakao, Hiroyuki Hanzawa, Yoshino Matsuo, Keijiro Saku, Sadashiva S. Karnik

published 08 Nov 2013

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Inference of Structure Ensembles of Flexible Biomolecules from Sparse, Averaged Data

Simon Olsson, Jes Frellsen, Wouter Boomsma, Kanti V. Mardia, Thomas Hamelryck

published 07 Nov 2013

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Complexes of Neutralizing and Non-Neutralizing Affinity Matured Fabs with a Mimetic of the Internal Trimeric Coiled-Coil of HIV-1 gp41

Elena Gustchina, Mi Li, Rodolfo Ghirlando, Peter Schuck, John M. Louis, Jason Pierson, Prashant Rao, Sriram Subramaniam, Alla Gustchina, G. Marius Clore, Alexander Wlodawer

published 07 Nov 2013

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Solution and Crystallographic Structures of the Central Region of the Phosphoprotein from Human Metapneumovirus

Cedric Leyrat, Max Renner, Karl Harlos, Jonathan M. Grimes

published 04 Nov 2013

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Modeling the Structure of RNA Molecules with Small-Angle X-Ray Scattering Data

Michal Jan Gajda, Denise Martinez Zapien, Emiko Uchikawa, Anne-Catherine Dock-Bregeon

published 04 Nov 2013

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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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Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6

Jia Gao, Byung Hak Ha, Hua Jane Lou, Elizabeth M. Morse, Rong Zhang, David A. Calderwood, Benjamin E. Turk, Titus J. Boggon

published 28 Oct 2013

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Molecular Characterization of Monoclonal Antibodies that Inhibit Acetylcholinesterase by Targeting the Peripheral Site and Backdoor Region

Yves Bourne, Ludovic Renault, Sosthène Essono, Grégoire Mondielli, Patricia Lamourette, Didier Boquet, Jacques Grassi, Pascale Marchot

published 11 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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High Resolution Crystal Structure of the Grb2 SH2 Domain with a Phosphopeptide Derived from CD28

Kunitake Higo, Teikichi Ikura, Masayuki Oda, Hisayuki Morii, Jun Takahashi, Ryo Abe, Nobutoshi Ito

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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Solvent Dependency of the UV-Vis Spectrum of Indenoisoquinolines: Role of Keto-Oxygens as Polarity Interaction Probes

Andrea Coletta, Silvia Castelli, Giovanni Chillemi, Nico Sanna, Mark Cushman, Yves Pommier, Alessandro Desideri

published 26 Sep 2013

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