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Electrostatics

Evidences of Changes in Surface Electrostatic Charge Distribution during Stabilization of HPV16 Virus-Like Particles

Juan F. Vega, Ernesto Vicente-Alique, Rafael Núñez-Ramírez, Yang Wang, Javier Martínez-Salazar

published 17 Feb 2016

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Adsorptive Removal and Adsorption Kinetics of Fluoroquinolone by Nano-Hydroxyapatite

Yajun Chen, Tao Lan, Lunchao Duan, Fenghe Wang, Bin Zhao, Shengtian Zhang, Wei Wei

published 23 Dec 2015

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Influence of Chirality of Crizotinib on Its MTH1 Protein Inhibitory Activity: Insight from Molecular Dynamics Simulations and Binding Free Energy Calculations

Yuzhen Niu, Dabo Pan, Danfeng Shi, Qifeng Bai, Huanxiang Liu, Xiaojun Yao

published 17 Dec 2015

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Engineering of Immunoglobulin Fc Heterodimers Using Yeast Surface-Displayed Combinatorial Fc Library Screening

Hye-Ji Choi, Ye-Jin Kim, Dong-Ki Choi, Yong-Sung Kim

published 16 Dec 2015

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Charge Shielding of PIP₂ by Cations Regulates Enzyme Activity of Phospholipase C

Jong Bae Seo, Seung-Ryoung Jung, Weigang Huang, Qisheng Zhang, Duk-Su Koh

published 11 Dec 2015

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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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