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Molecular structure

Modelling aptamers with nucleic acid mimics (NAM): From sequence to three-dimensional docking

Ricardo Oliveira, Eva Pinho, [ ... ], Carina Almeida

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

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

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

Srinivasaraghavan Kannan, Martin Zacharias

Variation in the Helical Structure of Native Collagen

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

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

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

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

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

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

Crystal Structures of HIV-1 gp120 Envelope Glycoprotein in Complex with NBD Analogues That Target the CD4-Binding Site

Young Do Kwon, Judith M. LaLonde, [ ... ], Peter D. Kwong

The Ramachandran Number: An Order Parameter for Protein Geometry

Ranjan V. Mannige, Joyjit Kundu, Stephen Whitelam

Structure Based Discovery of Small Molecules to Regulate the Activity of Human Insulin Degrading Enzyme

Bilal Çakir, Onur Dağliyan, [ ... ], Metin Türkay

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

Garima Tiwari, Debasisa Mohanty

Glutathione – Hydroxyl Radical Interaction: A Theoretical Study on Radical Recognition Process

Béla Fiser, Balázs Jójárt, Imre G. Csizmadia, Béla Viskolcz

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