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Electrostatics

Exploring optimization strategies for improving explicit water models: Rigid n-point model and polarizable model based on Drude oscillator

Yeyue Xiong, Alexey V. Onufriev

Canonical and Noncanonical Sites Determine NPT2A Binding Selectivity to NHERF1 PDZ1

Tatyana Mamonova, Qiangmin Zhang, [ ... ], Peter A. Friedman

Electrostatically Induced Recruitment of Membrane Peptides into Clusters Requires Ligand Binding at Both Interfaces

Yuri N. Antonenko, Andreas Horner, Peter Pohl

A protein self-assembly model guided by electrostatic and hydrophobic dipole moments

Angel Mozo-Villarías, Enrique Querol

Molecular insights into the inhibitory potential of anthocyanidins on glucokinase regulatory protein

Christian Kenneth, Daru Seto Bagus Anugrah, Jeffry Julianus, Sendy Junedi

The Dynamics of the Human Leukocyte Antigen Head Domain Modulates Its Recognition by the T-Cell Receptor

Estefanía García-Guerrero, José Antonio Pérez-Simón, [ ... ], Antonio Díaz-Quintana

The Effects of Ca²⁺ Concentration and E200K Mutation on the Aggregation Propensity of PrP^C: A Computational Study

Alessandro Marrone, Nazzareno Re, Loriano Storchi

Detection of driver mutations and genomic signatures in endometrial cancers using artificial intelligence algorithms

Anda Stan, Korey Bosart, [ ... ], Ruben C. Petreaca

The role of the C₂A domain of synaptotagmin 1 in asynchronous neurotransmitter release

Mallory C. Shields, Matthew R. Bowers, [ ... ], Noreen E. Reist

Separation of Folinic Acid Diastereomers in Capillary Electrophoresis Using a New Cationic β-Cyclodextrin Derivative

Jia Yu, Xinlei Liang, [ ... ], Xingjie Guo

Conserved N-Terminal Negative Charges Support Optimally Efficient N-type Inactivation of Kv1 Channels

Alison Prince, Paul J. Pfaffinger

A DFT investigation on the potential of beryllium oxide (Be₁₂O₁₂) as a nanocarrier for nucleobases

Mahmoud A. A. Ibrahim, Maggie N. S. Hanna, [ ... ], Tamer Shoeib

TBI Server: A Web Server for Predicting Ion Effects in RNA Folding

Yuhong Zhu, Zhaojian He, Shi-Jie Chen

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