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Molecular dynamics

Dicationic Alkylammonium Bromide Gemini Surfactants. Membrane Perturbation and Skin Irritation

João A. S. Almeida, Henrique Faneca, Rui A. Carvalho, Eduardo F. Marques, Alberto A. C. C. Pais

published 10 Nov 2011

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SdPI, The First Functionally Characterized Kunitz-Type Trypsin Inhibitor from Scorpion Venom

Ruiming Zhao, Hui Dai, Su Qiu, Tian Li, Yawen He, Yibao Ma, Zongyun Chen, Yingliang Wu, Wenxin Li, Zhijian Cao

published 08 Nov 2011

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Context Mediates Antimicrobial Efficacy of Kinocidin Congener Peptide RP-1

Nannette Y. Yount, Samuel E. Cohen, Deborah Kupferwasser, Alan J. Waring, Piotr Ruchala, Shantanu Sharma, Karlman Wasserman, Chun-Ling Jung, Michael R. Yeaman

published 04 Nov 2011

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Revisiting the NMR Structure of the Ultrafast Downhill Folding Protein gpW from Bacteriophage λ

Lorenzo Sborgi, Abhinav Verma, Victor Muñoz, Eva de Alba

published 04 Nov 2011

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Structural, Stability, Dynamic and Binding Properties of the ALS-Causing T46I Mutant of the hVAPB MSP Domain as Revealed by NMR and MD Simulations

Shixiong Lua, Haina Qin, Liangzhong Lim, Jiahai Shi, Garvita Gupta, Jianxing Song

published 01 Nov 2011

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Altered Antibiotic Transport in OmpC Mutants Isolated from a Series of Clinical Strains of Multi-Drug Resistant E. coli

Hubing Lou, Min Chen, Susan S. Black, Simon R. Bushell, Matteo Ceccarelli, Tivadar Mach, Konstantinos Beis, Alison S. Low, Victoria A. Bamford, Ian R. Booth, Hagan Bayley, James H. Naismith

published 28 Oct 2011

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Atomic-Level Characterization of the Activation Mechanism of SERCA by Calcium

L. Michel Espinoza-Fonseca, David D. Thomas

published 27 Oct 2011

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Elucidation of the ATP7B N-Domain Mg²⁺-ATP Coordination Site and Its Allosteric Regulation

Claude Hercend, Cyril Bauvais, Guillaume Bollot, Nicolas Delacotte, Philippe Chappuis, France Woimant, Jean-Marie Launay, Philippe Manivet

published 27 Oct 2011

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Novel Allosteric Sites on Ras for Lead Generation

Barry J. Grant, Suryani Lukman, Harrison J. Hocker, Jaqueline Sayyah, Joan Heller Brown, J. Andrew McCammon, Alemayehu A. Gorfe

published 25 Oct 2011

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In Silico Analysis of Single Nucleotide Polymorphism (SNPs) in Human β-Globin Gene

Mohammed Alanazi, Zainularifeen Abduljaleel, Wajahatullah Khan, Arjumand S. Warsy, Mohamed Elrobh, Zahid Khan, Abdullah Al Amri, Mohammad D. Bazzi

published 20 Oct 2011

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A New Concept to Reveal Protein Dynamics Based on Energy Dissipation

Cheng-Wei Ma, Zhi-Long Xiu, An-Ping Zeng

published 17 Oct 2011

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Effects of Single Nucleotide Polymorphisms on Human N-Acetyltransferase 2 Structure and Dynamics by Molecular Dynamics Simulation

M. Rajasekaran, Santhanam Abirami, Chinpan Chen

published 29 Sep 2011

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First-Step Mutations for Adaptation at Elevated Temperature Increase Capsid Stability in a Virus

Kuo Hao Lee, Craig R. Miller, Anna C. Nagel, Holly A. Wichman, Paul Joyce, F. Marty Ytreberg

published 29 Sep 2011

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