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Salt bridges

Conformational Stability of Fibrillar Amyloid-Beta Oligomers via Protofilament Pair Formation – A Systematic Computational Study

Anna Kahler, Heinrich Sticht, Anselm H. C. Horn

Interaction and Inhibition of Dengue Envelope Glycoprotein with Mammalian Receptor DC-Sign, an In-Silico Approach

Masaud Shah, Abdul Wadood, Ziaur Rahman, Tayyab Husnain

Salt-Bridge Energetics in Halophilic Proteins

Arnab Nayek, Parth Sarthi Sen Gupta, [ ... ], Amal K. Bandyopadhyay

Molecular Dynamics Studies of the Nucleoprotein of Influenza A Virus: Role of the Protein Flexibility in RNA Binding

Bogdan Tarus, Christophe Chevalier, [ ... ], Anny Slama-Schwok

Stapled BH3 Peptides against MCL-1: Mechanism and Design Using Atomistic Simulations

Thomas L. Joseph, David P. Lane, Chandra S. Verma

Soaking suggests “alternative facts”: Only co-crystallization discloses major ligand-induced interface rearrangements of a homodimeric tRNA-binding protein indicating a novel mode-of-inhibition

Frederik Rainer Ehrmann, Johann Stojko, [ ... ], Gerhard Klebe

Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Galβ1-3/4GlcNAc

Tung-Ju Hsieh, Hsien-Ya Lin, [ ... ], Chun-Hung Lin

Molecular Dynamics Simulations and Classical Multidimensional Scaling Unveil New Metastable States in the Conformational Landscape of CDK2

Pasquale Pisani, Fabiana Caporuscio, Luca Carlino, Giulio Rastelli

Expression and Properties of the Highly Alkalophilic Phenylalanine Ammonia-Lyase of Thermophilic Rubrobacter xylanophilus

Klaudia Kovács, Gergely Bánóczi, [ ... ], László Poppe

Role of Key Salt Bridges in Thermostability of G. thermodenitrificans EstGtA2: Distinctive Patterns within the New Bacterial Lipolytic Enzyme Family XV

David M. Charbonneau, Marc Beauregard

Polymorphic Structures of Alzheimer's β-Amyloid Globulomers

Xiang Yu, Jie Zheng

AlphaFold-SFA: Accelerated sampling of cryptic pocket opening, protein-ligand binding and allostery by AlphaFold, slow feature analysis and metadynamics

Shray Vats, Raitis Bobrovs, Pär Söderhjelm, Soumendranath Bhakat

Canine CNGA3 Gene Mutations Provide Novel Insights into Human Achromatopsia-Associated Channelopathies and Treatment

Naoto Tanaka, Emily V. Dutrow, [ ... ], Karina E. Guziewicz

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