Advertisement

Browse Subject Areas

?

Click through the PLOS taxonomy to find articles in your field.

For more information about PLOS Subject Areas, click here.

Molecular structure

Identification of Inhibitor Binding Site in Human Sirtuin 2 Using Molecular Docking and Dynamics Simulations

Sugunadevi Sakkiah, Mahreen Arooj, [ ... ], Keun Woo Lee

Use of thermal analysis coupled with differential scanning calorimetry, quadrupole mass spectrometry and infrared spectroscopy (TG-DSC-QMS-FTIR) to monitor chemical properties and thermal stability of fulvic and humic acids

Patrycja Boguta, Zofia Sokołowska, Kamil Skic

Variation in the Helical Structure of Native Collagen

Joseph P. R. O. Orgel, Anton V. Persikov, Olga Antipova

Identification of Novel Human Dipeptidyl Peptidase-IV Inhibitors of Natural Origin (Part II): In Silico Prediction in Antidiabetic Extracts

Laura Guasch, Esther Sala, [ ... ], Gerard Pujadas

The Ramachandran Number: An Order Parameter for Protein Geometry

Ranjan V. Mannige, Joyjit Kundu, Stephen Whitelam

Prediction of Aptamer-Target Interacting Pairs with Pseudo-Amino Acid Composition

Bi-Qing Li, Yu-Chao Zhang, [ ... ], Yu-Dong Cai

Complete Structure of an Epithelial Keratin Dimer: Implications for Intermediate Filament Assembly

David J. Bray, Tiffany R. Walsh, Massimo G. Noro, Rebecca Notman

Discovery of Novel New Delhi Metallo-β-Lactamases-1 Inhibitors by Multistep Virtual Screening

Xuequan Wang, Meiling Lu, [ ... ], Xiaodong Cheng

Role of Tryptophan Side Chain Dynamics on the Trp-Cage Mini-Protein Folding Studied by Molecular Dynamics Simulations

Srinivasaraghavan Kannan, Martin Zacharias

Computational Structure-Based De Novo Design of Hypothetical Inhibitors against the Anti- Inflammatory Target COX-2

Jaspreet Kaur Dhanjal, Anith Kumar Sreenidhi, [ ... ], Durai Sundar

Investigation by Imaging Mass Spectrometry of Biomarker Candidates for Aging in the Hair Cortex

Michihiko Luca Waki, Kenji Onoue, [ ... ], Mitsutoshi Setou

An In Silico Analysis of the Binding Modes and Binding Affinities of Small Molecule Modulators of PDZ-Peptide Interactions

Garima Tiwari, Debasisa Mohanty

Mapping the Conformational Dynamics and Pathways of Spontaneous Steric Zipper Peptide Oligomerization

Dirk Matthes, Vytautas Gapsys, Venita Daebel, Bert L. de Groot

Advertisement

Create a weekly email alert for: Molecular structure

You can change these options by clicking profile then "Alerts and Notifications"