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Molecular structure

Promising Aedes aegypti Repellent Chemotypes Identified through Integrated QSAR, Virtual Screening, Synthesis, and Bioassay

Polina V. Oliferenko, Alexander A. Oliferenko, [ ... ], Alan R. Katritzky

Liquid Chromatography Electrospray Ionization Tandem Mass Spectrometric (LC/ESI-MS/MS) Study for the Identification and Characterization of In Vivo Metabolites of Cisplatin in Rat Kidney Cancer Tissues: Online Hydrogen/Deuterium (H/D) Exchange Study

Raju Bandu, Hyun Soo Ahn, [ ... ], Kwang Pyo Kim

Inhibition of α-Synuclein Fibrillization by Dopamine Is Mediated by Interactions with Five C-Terminal Residues and with E83 in the NAC Region

Fernando E. Herrera, Alessandra Chesi, [ ... ], Paolo Carloni

Structural Basis of Microtubule Destabilization by Potent Auristatin Anti-Mitotics

Andrew B. Waight, Katja Bargsten, [ ... ], Andrea E. Prota

Structures of an Apo and a Binary Complex of an Evolved Archeal B Family DNA Polymerase Capable of Synthesising Highly Cy-Dye Labelled DNA

Samantha A. Wynne, Vitor B. Pinheiro, Philipp Holliger, Andrew G. W. Leslie

Structure of a Murine Norovirus NS6 Protease-Product Complex Revealed by Adventitious Crystallisation

Eoin N. Leen, Gabriela Baeza, Stephen Curry

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part I): Virtual Screening and Activity Assays

Laura Guasch, Maria José Ojeda, [ ... ], Gerard Pujadas

Decorin Core Protein (Decoron) Shape Complements Collagen Fibril Surface Structure and Mediates Its Binding

Joseph P. R. O. Orgel, Aya Eid, [ ... ], John E. Scott

2.7 Å cryo-EM structure of vitrified M. musculus H-chain apoferritin from a compact 200 keV cryo-microscope

Farzad Hamdi, Christian Tüting, [ ... ], Panagiotis L. Kastritis

Identification of Novel Aldose Reductase Inhibitors from Spices: A Molecular Docking and Simulation Study

Priya Antony, Ranjit Vijayan

Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand

Samuel DeLuca, Karen Khar, Jens Meiler

Glycine Insertion Makes Yellow Fluorescent Protein Sensitive to Hydrostatic Pressure

Tomonobu M. Watanabe, Katsumi Imada, [ ... ], Toshio Yanagida

Towards Ligand Docking Including Explicit Interface Water Molecules

Gordon Lemmon, Jens Meiler

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