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Electrostatics

Evaluating the Effects of Cutoffs and Treatment of Long-range Electrostatics in Protein Folding Simulations

Stefano Piana, Kresten Lindorff-Larsen, Robert M. Dirks, John K. Salmon, Ron O. Dror, David E. Shaw

published 29 Jun 2012

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Molecular Dynamics Simulations Suggest Ligand’s Binding to Nicotinamidase/Pyrazinamidase

Ji-Long Zhang, Qing-Chuan Zheng, Zheng-Qiang Li, Hong-Xing Zhang

published 26 Jun 2012

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Enumerating Pathways of Proton Abstraction Based on a Spatial and Electrostatic Analysis of Residues in the Catalytic Site

Sandeep Chakraborty

published 20 Jun 2012

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Prediction of Protein Domain with mRMR Feature Selection and Analysis

Bi-Qing Li, Le-Le Hu, Lei Chen, Kai-Yan Feng, Yu-Dong Cai, Kuo-Chen Chou

published 15 Jun 2012

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Lipid Interaction and Membrane Perturbation of Human Islet Amyloid Polypeptide Monomer and Dimer by Molecular Dynamics Simulations

Yun Zhang, Yin Luo, Yonghua Deng, Yuguang Mu, Guanghong Wei

published 31 May 2012

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Insight into the Assembly Properties and Functional Organisation of the Magnetotactic Bacterial Actin-like Homolog, MamK

Sanjiv Sonkaria, Gloria Fuentes, Chandra Verma, Ram Narang, Varsha Khare, Anna Fischer, Damien Faivre

published 07 May 2012

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Mechanisms of Intramolecular Communication in a Hyperthermophilic Acylaminoacyl Peptidase: A Molecular Dynamics Investigation

Elena Papaleo, Giulia Renzetti, Matteo Tiberti

published 27 Apr 2012

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Identification of Key Residues for pH Dependent Activation of Violaxanthin De-Epoxidase from Arabidopsis thaliana

Christian Fufezan, Diana Simionato, Tomas Morosinotto

published 27 Apr 2012

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The Interaction Properties of the Human Rab GTPase Family – A Comparative Analysis Reveals Determinants of Molecular Binding Selectivity

Matthias Stein, Manohar Pilli, Sabine Bernauer, Bianca H. Habermann, Marino Zerial, Rebecca C. Wade

published 16 Apr 2012

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Molecular Mechanism Underlying the Interaction of Typical Sac10b Family Proteins with DNA

Yan-Feng Liu, Nan Zhang, Xi Liu, Xinquan Wang, Zhi-Xin Wang, Yuanyuan Chen, Hong-Wei Yao, Meng Ge, Xian-Ming Pan

published 12 Apr 2012

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Changes in Plasma Membrane Surface Potential of PC12 Cells as Measured by Kelvin Probe Force Microscopy

Chia-Chang Tsai, Hui-Hsing Hung, Chien-Pang Liu, Yit-Tsong Chen, Chien-Yuan Pan

published 10 Apr 2012

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Hysteresis in Pressure-Driven DNA Denaturation

Enrique Hernández-Lemus, Luz Adriana Nicasio-Collazo, Ramón Castañeda-Priego

published 09 Apr 2012

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Molecular Dynamics Simulation Study and Hybrid Pharmacophore Model Development in Human LTA4H Inhibitor Design

Sundarapandian Thangapandian, Shalini John, Mahreen Arooj, Keun Woo Lee

published 05 Apr 2012

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