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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, [ ... ], Kouhei Tsumoto

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

Vitali Stanevich, Aiping Zheng, [ ... ], Yongna Xing

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

Bi-Qing Li, Yu-Chao Zhang, [ ... ], Yu-Dong Cai

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, [ ... ], Hong Ling

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

Kerstin Elfrink, Wanqin Liao, [ ... ], Martin Bähler

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

Luciana L. de Carvalho, Vinícius G. Maltarollo, [ ... ], Albérico B. F. da Silva

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

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

Slim Azouzi, Marc Gueroult, [ ... ], Isabelle Mouro-Chanteloup

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

Toshiharu Tsurumura, Hao Qiu, [ ... ], Hideaki Tsuge

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

Christelle Mathé, Stéphanie Devineau, [ ... ], Jean Labarre

Influence of Material Properties on TiO₂ Nanoparticle Agglomeration

Dongxu Zhou, Zhaoxia Ji, [ ... ], Arturo A. Keller

Role of Cross-Cleft Contacts in NMDA Receptor Gating

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

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

Karunakar Tanneeru, Lalitha Guruprasad

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