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Electrostatics

Linking epigenetic function to electrostatics: The DNMT2 structural model example

Gilberto Cavalheiro Vieira, Gustavo Fioravanti Vieira, Marialva Sinigaglia, Vera Lúcia da Silva Valente

Electrostatic forces govern the binding mechanism of intrinsically disordered histone chaperones

Chuanbo Liu, Tianshu Wang, Yawen Bai, Jin Wang

A prion-like mechanism for the propagated misfolding of SOD1 from in silico modeling of solvated near-native conformers

Eamonn F. Healy

Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

Rosemberg F. N. Rodrigues, Leonardo R. Almeida, [ ... ], Basílio Baseia

Variations in the interaction of human defensins with Escherichia coli: Possible implications in bacterial killing

Basil Mathew, Ramakrishnan Nagaraj

Structure based comprehensive modelling, spatial fingerprints mapping and ADME screening of curcumin analogues as novel ALR2 inhibitors

Sant Kumar Verma, Suresh Thareja

Synthesis, characterization, and debromination reactivity of cellulose-stabilized Pd/Fe nanoparticles for 2,2',4,4'-tretrabromodiphenyl ether

Guofu Huang, Mianmian Wang, [ ... ], Changfang Li

Sampling and detection of airborne influenza virus towards point-of-care applications

Laila Ladhani, Gaspard Pardon, [ ... ], Wouter van der Wijngaart

Synthesis and bioevaluation of N,4-diaryl-1,3-thiazole-2-amines as tubulin inhibitors with potent antiproliferative activity

Maolin Sun, Qile Xu, [ ... ], Weige Zhang

Towards a critical evaluation of an empirical and volume-based solvation function for ligand docking

Heloisa S. Muniz, Alessandro S. Nascimento

Direct measurement of interaction forces between bovine serum albumin and poly(ethylene oxide) in water and electrolyte solutions

Sergio M. Acuña, José M. Bastías, Pedro G. Toledo

Rational design of DKK3 structure-based small peptides as antagonists of Wnt signaling pathway and in silico evaluation of their efficiency

Mansour Poorebrahim, Solmaz Sadeghi, [ ... ], Ladan Teimoori-Toolabi

A comparative study of cold- and warm-adapted Endonucleases A using sequence analyses and molecular dynamics simulations

Davide Michetti, Bjørn Olav Brandsdal, [ ... ], Elena Papaleo

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