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Atomic structure

Device performances analysis of p-type doped silicene-based field effect transistor using SPICE-compatible model

Mu Wen Chuan, Munawar Agus Riyadi, Afiq Hamzah, Nurul Ezaila Alias, Suhana Mohamed Sultan, Cheng Siong Lim, Michael Loong Peng Tan

published 03 Mar 2022

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Data-driven coarse graining of large biomolecular structures

Yi-Ling Chen, Michael Habeck

published 17 Aug 2017

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Atomistic modeling of alternating access of a mitochondrial ADP/ATP membrane transporter with molecular simulations

Koichi Tamura, Shigehiko Hayashi

published 20 Jul 2017

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Identification and characterization of a neutralizing monoclonal antibody that provides complete protection against Yersinia pestis

Weicen Liu, Jun Ren, Jinlong Zhang, Xiaohong Song, Shuling Liu, Xiangyang Chi, Yi Chen, Zhonghua Wen, Jianmin Li, Wei Chen

published 09 May 2017

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The Five-To-Six-Coordination Transition of Ferric Human Serum Heme-Albumin Is Allosterically-Modulated by Ibuprofen and Warfarin: A Combined XAS and MD Study

Carlo Meneghini, Loris Leboffe, Monica Bionducci, Gabriella Fanali, Massimiliano Meli, Giorgio Colombo, Mauro Fasano, Paolo Ascenzi, Settimio Mobilio

published 25 Aug 2014

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High-Quality NMR Structure of Human Anti-Apoptotic Protein Domain Mcl-1(171-327) for Cancer Drug Design

Gaohua Liu, Leszek Poppe, Ken Aoki, Harvey Yamane, Jeffrey Lewis, Thomas Szyperski

published 02 May 2014

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Distant Homology Modeling of LCAT and Its Validation through In Silico Targeting and In Vitro and In Vivo Assays

Cristina Sensi, Sara Simonelli, Ilaria Zanotti, Gabriella Tedeschi, Giulia Lusardi, Guido Franceschini, Laura Calabresi, Ivano Eberini

published 15 Apr 2014

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NMR Structure of Temporin-1 Ta in Lipopolysaccharide Micelles: Mechanistic Insight into Inactivation by Outer Membrane

Rathi Saravanan, Mangesh Joshi, Harini Mohanram, Anirban Bhunia, Maria Luisa Mangoni, Surajit Bhattacharjya

published 09 Sep 2013

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Head-Head Interactions of Resting Myosin Crossbridges in Intact Frog Skeletal Muscles, Revealed by Synchrotron X-Ray Fiber Diffraction

Kanji Oshima, Yasunobu Sugimoto, Thomas C. Irving, Katsuzo Wakabayashi

published 20 Dec 2012

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FRET-Based Localization of Fluorescent Protein Insertions Within the Ryanodine Receptor Type 1

Shweta A. Raina, Jeffrey Tsai, Montserrat Samsó, James D. Fessenden

published 13 Jun 2012

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Recognition of Interaction Interface Residues in Low-Resolution Structures of Protein Assemblies Solely from the Positions of Cα Atoms

Rupali A. Gadkari, Deepthi Varughese, N. Srinivasan

published 13 Feb 2009

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FitEM2EM—Tools for Low Resolution Study of Macromolecular Assembly and Dynamics

Ziv Frankenstein, Joseph Sperling, Ruth Sperling, Miriam Eisenstein

published 31 Oct 2008

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