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Molecular structure

Integrated Computational Solution for Predicting Skin Sensitization Potential of Molecules

Konda Leela Sarath Kumar, Sujit R. Tangadpalliwar, [ ... ], Abhay Jere

The Neutron Structure of Urate Oxidase Resolves a Long-Standing Mechanistic Conundrum and Reveals Unexpected Changes in Protonation

Esko Oksanen, Matthew P. Blakeley, [ ... ], Monika Budayova-Spano

Entropy Bounds for Hierarchical Molecular Networks

Matthias Dehmer, Stephan Borgert, Frank Emmert-Streib

Structure of a Stapled Peptide Antagonist Bound to Nutlin-Resistant Mdm2

Sharon Min Qi Chee, Jantana Wongsantichon, [ ... ], Farid J. Ghadessy

Substrate and Inhibitor Specificity of the Type II p21-Activated Kinase, PAK6

Jia Gao, Byung Hak Ha, [ ... ], Titus J. Boggon

Adenosine Monophosphate Forms Ordered Arrays in Multilamellar Lipid Matrices: Insights into Assembly of Nucleic Acid for Primitive Life

Laura Toppozini, Hannah Dies, David W. Deamer, Maikel C. Rheinstädter

Ab Initio Calculation of the Zn Isotope Effect in Phosphates, Citrates, and Malates and Applications to Plants and Soil

Toshiyuki Fujii, Francis Albarède

Fundamental Limits on Wavelength, Efficiency and Yield of the Charge Separation Triad

Alexander Punnoose, Liza McConnell, [ ... ], Ronald Koder

Variable Mutation Rates as an Adaptive Strategy in Replicator Populations

Michael Stich, Susanna C. Manrubia, Ester Lázaro

Identification of key amino acid residues in the hTGR5–nomilin interaction and construction of its binding model

Takashi Sasaki, Moeko Mita, [ ... ], Ryuichiro Sato

The Mode of Inhibitor Binding to Peptidyl-tRNA Hydrolase: Binding Studies and Structure Determination of Unbound and Bound Peptidyl-tRNA Hydrolase from Acinetobacter baumannii

Sanket Kaushik, Nagendra Singh, [ ... ], Tej P. Singh

Water Molecular System Dynamics Associated with Amyloidogenic Nucleation as Revealed by Real Time Near Infrared Spectroscopy and Aquaphotomics

Eri Chatani, Yutaro Tsuchisaka, Yuki Masuda, Roumiana Tsenkova

Conformation and Stability of Intramolecular Telomeric G-Quadruplexes: Sequence Effects in the Loops

Giovanna Sattin, Anna Artese, [ ... ], Sara N. Richter

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