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Electrostatics

Energetic Changes Caused by Antigenic Module Insertion in a Virus-Like Particle Revealed by Experiment and Molecular Dynamics Simulations

Lin Zhang, Ronghong Tang, [ ... ], Yan Sun

Cross Dimerization of Amyloid-β and αSynuclein Proteins in Aqueous Environment: A Molecular Dynamics Simulations Study

Jaya C. Jose, Prathit Chatterjee, Neelanjana Sengupta

A New Coarse-Grained Model for E. coli Cytoplasm: Accurate Calculation of the Diffusion Coefficient of Proteins and Observation of Anomalous Diffusion

Sabeeha Hasnain, Christopher L. McClendon, [ ... ], Pradipta Bandyopadhyay

Molecular Dynamic Simulation of the Self-Assembly of DAP12-NKG2C Activating Immunoreceptor Complex

Peng Wei, Lida Xu, [ ... ], Shi-Zhong Luo

On Calculation of the Electrostatic Potential of a Phosphatidylinositol Phosphate-Containing Phosphatidylcholine Lipid Membrane Accounting for Membrane Dynamics

Jonathan C. Fuller, Michael Martinez, Rebecca C. Wade

Chemically Modified Peptide Scaffolds Target the CFTR-Associated Ligand PDZ Domain

Jeanine F. Amacher, Ruizhi Zhao, Mark R. Spaller, Dean R. Madden

Surface Physicochemistry and Ionic Strength Affects eDNA’s Role in Bacterial Adhesion to Abiotic Surfaces

Viduthalai R. Regina, Arcot R. Lokanathan, [ ... ], Rikke L. Meyer

Charged Residues Distribution Modulates Selectivity of the Open State of Human Isoforms of the Voltage Dependent Anion-Selective Channel

Giuseppe Federico Amodeo, Mariano Andrea Scorciapino, [ ... ], Matteo Ceccarelli

Synthesis, Crystal Structure and Biological Activity of 2-Hydroxyethylammonium Salt of p-Aminobenzoic Acid

Manuela E. Crisan, Paulina Bourosh, [ ... ], Yurii M. Chumakov

Graph Theoretical Representation of Atomic Asymmetry and Molecular Chirality of Benzenoids in Two-Dimensional Space

Tanfeng Zhao, Qingyou Zhang, Hailin Long, Lu Xu

Statistical Analysis of Crystallization Database Links Protein Physico-Chemical Features with Crystallization Mechanisms

Diana Fusco, Timothy J. Barnum, [ ... ], Patrick Charbonneau

The Effect of Macromolecular Crowding on the Electrostatic Component of Barnase–Barstar Binding: A Computational, Implicit Solvent-Based Study

Helena W. Qi, Priyanka Nakka, Connie Chen, Mala L. Radhakrishnan

Protonated Form: The Potent Form of Potassium-Competitive Acid Blockers

Hua-Jun Luo, Wei-Qiao Deng, Kun Zou

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