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Electrostatics

Affinity Improvement of a Therapeutic Antibody by Structure-Based Computational Design: Generation of Electrostatic Interactions in the Transition State Stabilizes the Antibody-Antigen Complex

Masato Kiyoshi, Jose M. M. Caaveiro, Eri Miura, Satoru Nagatoishi, Makoto Nakakido, Shinji Soga, Hiroki Shirai, Shigeki Kawabata, Kouhei Tsumoto

published 27 Jan 2014

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Mechanisms of the Scaffold Subunit in Facilitating Protein Phosphatase 2A Methylation

Vitali Stanevich, Aiping Zheng, Feng Guo, Li Jiang, Nathan Wlodarchak, Yongna Xing

published 23 Jan 2014

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Prediction of Aptamer-Target Interacting Pairs with Pseudo-Amino Acid Composition

Bi-Qing Li, Yu-Chao Zhang, Guo-Hua Huang, Wei-Ren Cui, Ning Zhang, Yu-Dong Cai

published 22 Jan 2014

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Critical Amino Acids within the Human Immunodeficiency Virus Type 1 Envelope Glycoprotein V4 N- and C-Terminals Contribute to Virus Entry

Yan Li, Dan Yang, Jia-Ye Wang, Yuan Yao, Wei-Zhe Zhang, Lu-Jing Wang, De-Chun Cheng, Feng-Kun Yang, Feng-Min Zhang, Min Zhuang, Hong Ling

published 21 Jan 2014

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The Loop2 Insertion of Type IX Myosin Acts as an Electrostatic Actin Tether that Permits Processive Movement

Kerstin Elfrink, Wanqin Liao, Uwe Pieper, Stefanie J. Oeding, Martin Bähler

published 09 Jan 2014

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Molecular Features Related to HIV Integrase Inhibition Obtained from Structure- and Ligand-Based Approaches

Luciana L. de Carvalho, Vinícius G. Maltarollo, Emmanuela Ferreira de Lima, Karen C. Weber, Kathia M. Honorio, Albérico B. F. da Silva

published 08 Jan 2014

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Redox Specificity of 2-Hydroxyacid-Coupled NAD⁺/NADH Dehydrogenases: A Study Exploiting “Reactive” Arginine as a Reporter of Protein Electrostatics

Pooja Gupta, Mohamad Aman Jairajpuri, Susheel Durani

published 31 Dec 2013

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Energetic and Molecular Water Permeation Mechanisms of the Human Red Blood Cell Urea Transporter B

Slim Azouzi, Marc Gueroult, Pierre Ripoche, Sandrine Genetet, Yves Colin Aronovicz, Caroline Le Van Kim, Catherine Etchebest, Isabelle Mouro-Chanteloup

published 20 Dec 2013

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Conformational Polymorphism of m⁷GTP in Crystal Structure of the PB2 Middle Domain from Human Influenza A Virus

Toshiharu Tsurumura, Hao Qiu, Toru Yoshida, Yayoi Tsumori, Dai Hatakeyama, Takashi Kuzuhara, Hideaki Tsuge

published 29 Nov 2013

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Structural Determinants for Protein adsorption/non-adsorption to Silica Surface

Christelle Mathé, Stéphanie Devineau, Jean-Christophe Aude, Gilles Lagniel, Stéphane Chédin, Véronique Legros, Marie-Hélène Mathon, Jean-Philippe Renault, Serge Pin, Yves Boulard, Jean Labarre

published 25 Nov 2013

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Influence of Material Properties on TiO₂ Nanoparticle Agglomeration

Dongxu Zhou, Zhaoxia Ji, Xingmao Jiang, Darren R. Dunphy, Jeffrey Brinker, Arturo A. Keller

published 25 Nov 2013

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Role of Cross-Cleft Contacts in NMDA Receptor Gating

Meaghan A. Paganelli, Cassandra L. Kussius, Gabriela K. Popescu

published 21 Nov 2013

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Ponatinib Is a Pan-BCR-ABL Kinase Inhibitor: MD Simulations and SIE Study

Karunakar Tanneeru, Lalitha Guruprasad

published 13 Nov 2013

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