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Molecular structure

Matrix Metalloproteinase-10/TIMP-2 Structure and Analyses Define Conserved Core Interactions and Diverse Exosite Interactions in MMP/TIMP Complexes

Jyotica Batra, Alexei S. Soares, Christine Mehner, Evette S. Radisky

Structural Model for the Interaction of a Designed Ankyrin Repeat Protein with the Human Epidermal Growth Factor Receptor 2

V. Chandana Epa, Olan Dolezal, [ ... ], Timothy E. Adams

Smell compounds classification using UMAP to increase knowledge of odors and molecular structures linkages

Marylène Rugard, Thomas Jaylet, [ ... ], Karine Audouze

Genetic variants in ALDH1B1 and alcohol dependence risk in a British and Irish population: A bioinformatic and genetic study

Michael J. Way, M. Adam Ali, Andrew McQuillin, Marsha Y. Morgan

Structural Insights into Clostridium perfringens Delta Toxin Pore Formation

Jessica Huyet, Claire E. Naylor, [ ... ], Ajit K. Basak

Mechanistic Insights into Validoxylamine A 7'-Phosphate Synthesis by VldE Using the Structure of the Entire Product Complex

Michael C. Cavalier, Young-Sun Yim, [ ... ], Yong-Hwan Lee

Enhancing Adverse Drug Event Detection in Electronic Health Records Using Molecular Structure Similarity: Application to Pancreatitis

Santiago Vilar, Rave Harpaz, [ ... ], Carol Friedman

Crystal Structures of a Plant Trypsin Inhibitor from Enterolobium contortisiliquum (EcTI) and of Its Complex with Bovine Trypsin

Dongwen Zhou, Yara A. Lobo, [ ... ], Alexander Wlodawer

Predicting human odor perception represented by continuous values from mass spectra of essential oils resembling chemical mixtures

Tanoy Debnath, Takamichi Nakamoto

Structural Characterization of a Therapeutic Anti-Methamphetamine Antibody Fragment: Oligomerization and Binding of Active Metabolites

Eric C. Peterson, Reha Celikel, Kuppan Gokulan, Kottayil I. Varughese

Structure and function of a CE4 deacetylase isolated from a marine environment

Tina Rise Tuveng, Ulli Rothweiler, [ ... ], Vincent G. H. Eijsink

Optimal Identification of Semi-Rigid Domains in Macromolecules from Molecular Dynamics Simulation

Stefan Bernhard, Frank Noé

Integrated Computational Solution for Predicting Skin Sensitization Potential of Molecules

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

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