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Electrostatics

The First Extracellular Domain Plays an Important Role in Unitary Channel Conductance of Cx50 Gap Junction Channels

Xiaoling Tong, Hiroshi Aoyama, [ ... ], Donglin Bai

The Influence of the 1-(3-Trifluoromethyl-Benzyl)-1H-Pyrazole-4-yl Moiety on the Adenosine Receptors Affinity Profile of Pyrazolo[4,3-e][1,2,4]Triazolo[1,5-c]Pyrimidine Derivatives

Stephanie Federico, Sara Redenti, [ ... ], Giampiero Spalluto

Study of the Differential Activity of Thrombin Inhibitors Using Docking, QSAR, Molecular Dynamics, and MM-GBSA

Karel Mena-Ulecia, William Tiznado, Julio Caballero

Identification of Key Factors Involved in the Biosorption of Patulin by Inactivated Lactic Acid Bacteria (LAB) Cells

Ling Wang, Zhouli Wang, [ ... ], Tianli Yue

Structural Insight of a Trimodular Halophilic Cellulase with a Family 46 Carbohydrate-Binding Module

Huaidong Zhang, Guimin Zhang, [ ... ], Yanhe Ma

Linear Interaction Energy Based Prediction of Cytochrome P450 1A2 Binding Affinities with Reliability Estimation

Luigi Capoferri, Marlies C. A. Verkade-Vreeker, [ ... ], Daan P. Geerke

Somatic Variation of T-Cell Receptor Genes Strongly Associate with HLA Class Restriction

Paul L. Klarenbeek, Marieke E. Doorenspleet, [ ... ], Niek de Vries

Computational Design of Hypothetical New Peptides Based on a Cyclotide Scaffold as HIV gp120 Inhibitor

Apiwat Sangphukieo, Wanapinun Nawae, [ ... ], Marasri Ruengjitchatchawalya

A Simple Method for Discovering Druggable, Specific Glycosaminoglycan-Protein Systems. Elucidation of Key Principles from Heparin/Heparan Sulfate-Binding Proteins

Aurijit Sarkar, Umesh R. Desai

Pathways and Barriers for Ion Translocation through the 5-HT₃A Receptor Channel

Danilo Di Maio, Balasubramanian Chandramouli, Giuseppe Brancato

Cation Selectivity in Biological Cation Channels Using Experimental Structural Information and Statistical Mechanical Simulation

Justin John Finnerty, Alexander Peyser, Paolo Carloni

The Elucidation of the Interactome of 16 Arabidopsis bZIP Factors Reveals Three Independent Functional Networks

Carles Marco Llorca, Kenneth Wayne Berendzen, [ ... ], Ulrike Zentgraf

Functional Advantages of Conserved Intrinsic Disorder in RNA-Binding Proteins

Mihaly Varadi, Fruzsina Zsolyomi, Mainak Guharoy, Peter Tompa

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