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Electrostatics

Modification, Biological Evaluation and 3D QSAR Studies of Novel 2-(1,3-Diaryl- 4,5-Dihydro-1H-Pyrazol-5-yl)Phenol Derivatives as Inhibitors of B-Raf Kinase

Yu-Shun Yang, Fei Zhang, [ ... ], Hai-Liang Zhu

Order through Disorder: Hyper-Mobile C-Terminal Residues Stabilize the Folded State of a Helical Peptide. A Molecular Dynamics Study

Kalliopi K. Patapati, Nicholas M. Glykos

Designing peptides predicted to bind to the omicron variant better than ACE2 via computational protein design and molecular dynamics

Thassanai Sitthiyotha, Wantanee Treewattanawong, Surasak Chunsrivirot

A Computational Study of a Recreated G Protein-GEF Reaction Intermediate Competent for Nucleotide Exchange: Fate of the Mg Ion

Mériam Ben Hamida-Rebaï, Charles H. Robert

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

Artificial Modulation of the Gating Behavior of a K⁺ Channel in a KvAP-DNA Chimera

Andrew Wang, Giovanni Zocchi

The C₂A domain of synaptotagmin is an essential component of the calcium sensor for synaptic transmission

Matthew R. Bowers, Noreen E. Reist

Structural Analysis of Glutaredoxin Domain of Mus musculus Thioredoxin Glutathione Reductase

Olena Dobrovolska, Elena Shumilina, Vadim N. Gladyshev, Alexander Dikiy

Studies of α-Helicity and Intersegmental Interactions in Voltage-Gated Na⁺ Channels: S2D4

Zhongming Ma, Jun Kong, Roland G. Kallen

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

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

Yan-Feng Liu, Nan Zhang, [ ... ], Xian-Ming Pan

Redox Specificity of 2-Hydroxyacid-Coupled NAD⁺/NADH Dehydrogenases: A Study Exploiting “Reactive” Arginine as a Reporter of Protein Electrostatics

Pooja Gupta, Mohamad Aman Jairajpuri, Susheel Durani

The Interaction of FABP with Kapα

Ortal Amber-Vitos, Nataly Kucherenko, [ ... ], Yossi Tsfadia

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