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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, Swathy Sudhakar, Honghong Chen, Brian H. Shilton, Donglin Bai

published 01 Dec 2015

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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, Mattia Sturlese, Antonella Ciancetta, Sonja Kachler, Karl-Norbert Klotz, Barbara Cacciari, Stefano Moro, Giampiero Spalluto

published 01 Dec 2015

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

Karel Mena-Ulecia, William Tiznado, Julio Caballero

published 24 Nov 2015

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

Ling Wang, Zhouli Wang, Yahong Yuan, Rui Cai, Chen Niu, Tianli Yue

published 18 Nov 2015

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

Huaidong Zhang, Guimin Zhang, Chaoxiang Yao, Muhammad Junaid, Zhenghui Lu, Houjin Zhang, Yanhe Ma

published 12 Nov 2015

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

Luigi Capoferri, Marlies C. A. Verkade-Vreeker, Danny Buitenhuis, Jan N. M. Commandeur, Manuel Pastor, Nico P. E. Vermeulen, Daan P. Geerke

published 09 Nov 2015

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

Paul L. Klarenbeek, Marieke E. Doorenspleet, Rebecca E. E. Esveldt, Barbera D. C. van Schaik, Neubury Lardy, Antoine H. C. van Kampen, Paul P. Tak, Robert M. Plenge, Frank Baas, Paul I. W. de Bakker, Niek de Vries

published 30 Oct 2015

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

Apiwat Sangphukieo, Wanapinun Nawae, Teeraphan Laomettachit, Umaporn Supasitthimethee, Marasri Ruengjitchatchawalya

published 30 Oct 2015

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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

published 21 Oct 2015

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

Danilo Di Maio, Balasubramanian Chandramouli, Giuseppe Brancato

published 14 Oct 2015

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

Justin John Finnerty, Alexander Peyser, Paolo Carloni

published 13 Oct 2015

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

Carles Marco Llorca, Kenneth Wayne Berendzen, Waqas Ahmed Malik, Stefan Mahn, Hans-Peter Piepho, Ulrike Zentgraf

published 09 Oct 2015

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Functional Advantages of Conserved Intrinsic Disorder in RNA-Binding Proteins

Mihaly Varadi, Fruzsina Zsolyomi, Mainak Guharoy, Peter Tompa

published 06 Oct 2015

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