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Electrostatics

Effect of Surfaces on Amyloid Fibril Formation

Bradley Moores, Elizabeth Drolle, [ ... ], Zoya Leonenko

The ELBA Force Field for Coarse-Grain Modeling of Lipid Membranes

Mario Orsi, Jonathan W. Essex

Tuning Curvature and Stability of Monoolein Bilayers by Designer Lipid-Like Peptide Surfactants

Anan Yaghmur, Peter Laggner, Shuguang Zhang, Michael Rappolt

Protein Thermal Stability Enhancement by Designing Salt Bridges: A Combined Computational and Experimental Study

Chi-Wen Lee, Hsiu-Jung Wang, Jenn-Kang Hwang, Ching-Ping Tseng

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

Stefano Piana, Kresten Lindorff-Larsen, [ ... ], David E. Shaw

A Combination of Receptor-Based Pharmacophore Modeling & QM Techniques for Identification of Human Chymase Inhibitors

Mahreen Arooj, Sugunadevi Sakkiah, [ ... ], Keun Woo Lee

Modeling and mitigation of high-concentration antibody viscosity through structure-based computer-aided protein design

James R. Apgar, Amy S. P. Tam, [ ... ], Laura Lin

Active Site Detection by Spatial Conformity and Electrostatic Analysis—Unravelling a Proteolytic Function in Shrimp Alkaline Phosphatase

Sandeep Chakraborty, Renu Minda, [ ... ], Basuthkar J. Rao

Evaluating the Effect of Ionic Strength on Duplex Stability for PNA Having Negatively or Positively Charged Side Chains

N. Tilani S. De Costa, Jennifer M. Heemstra

Modulation of Alpha-Synuclein Aggregation by Dopamine Analogs

Diane Latawiec, Fernando Herrera, [ ... ], Giuseppe Legname

Bacterial Surface Appendages Strongly Impact Nanomechanical and Electrokinetic Properties of Escherichia coli Cells Subjected to Osmotic Stress

Grégory Francius, Pavel Polyakov, [ ... ], Jérôme F. L. Duval

Novel Mutations in ACVR1 Result in Atypical Features in Two Fibrodysplasia Ossificans Progressiva Patients

Kirsten A. Petrie, Wen Hwa Lee, [ ... ], James T. Triffitt

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

Laura Guasch, Maria José Ojeda, [ ... ], Gerard Pujadas

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