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Electrostatics

Interfacial water molecules at biological membranes: Structural features and role for lateral proton diffusion

Trung Hai Nguyen, Chao Zhang, [ ... ], Paolo Carloni

A generic HTS assay for kinase screening: Validation for the isolation of an engineered malate kinase

Romain Irague, Christopher M. Topham, [ ... ], Magali Remaud-Siméon

Computational study of HIV gp120 as a target for polyanionic entry inhibitors: Exploiting the V3 loop region

Louis R. Hollingsworth IV, Anne M. Brown, Richard D. Gandour, David R. Bevan

Docking and quantitative structure–activity relationship of bi-cyclic heteroaromatic pyridazinone and pyrazolone derivatives as phosphodiesterase 3A (PDE3A) inhibitors

Camila Muñoz-Gutiérrez, Daniela Cáceres-Rojas, [ ... ], Julio Caballero

Mellitate: A multivalent anion with extreme charge density causes rapid aggregation and misfolding of wild type lysozyme at neutral pH

Grzegorz Ścibisz, Robert Dec, Wojciech Dzwolak

Structural and functional analysis of SMO-1, the SUMO homolog in Caenorhabditis elegans

Parag Surana, Chandrakala M. Gowda, [ ... ], Ranabir Das

Probing the interaction between NatA and the ribosome for co-translational protein acetylation

Robert S. Magin, Sunbin Deng, [ ... ], Ronen Marmorstein

Protein-protein interactions in paralogues: Electrostatics modulates specificity on a conserved steric scaffold

Stefan M. Ivanov, Andrew Cawley, [ ... ], Jim Warwicker

Molecular evolutionary patterns of NAD⁺/Sirtuin aging signaling pathway across taxa

Uma Gaur, Jianbo Tu, [ ... ], Mingyao Yang

Changes in lipid membranes may trigger amyloid toxicity in Alzheimer's disease

Elizabeth Drolle, Alexander Negoda, [ ... ], Zoya Leonenko

Assisted Design of Antibody and Protein Therapeutics (ADAPT)

Victor Vivcharuk, Jason Baardsnes, [ ... ], Enrico O. Purisima

Synthesis, fungicidal evaluation and 3D-QSAR studies of novel 1,3,4-thiadiazole xylofuranose derivatives

Guanghui Zong, Xiaojing Yan, [ ... ], Jianjun Zhang

An accurate coarse-grained model for chitosan polysaccharides in aqueous solution

Levan Tsereteli, Andrea Grafmüller

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