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Crystal structure

Identification of the Rheumatoid Arthritis Shared Epitope Binding Site on Calreticulin

Song Ling, Andrew Cheng, [ ... ], Joseph Holoshitz

In silico identification of potential inhibitors of key SARS-CoV-2 3CL hydrolase (Mpro) via molecular docking, MMGBSA predictive binding energy calculations, and molecular dynamics simulation

M. Iqbal Choudhary, Muniza Shaikh, Atia- tul-Wahab, Atta- ur-Rahman

Carotenoid Crystal Formation in Arabidopsis and Carrot Roots Caused by Increased Phytoene Synthase Protein Levels

Dirk Maass, Jacobo Arango, [ ... ], Ralf Welsch

Structure of the BTB Domain of Keap1 and Its Interaction with the Triterpenoid Antagonist CDDO

Anne Cleasby, Jeff Yon, [ ... ], Thomas G. Davies

Structure of the Catalytic Domain of EZH2 Reveals Conformational Plasticity in Cofactor and Substrate Binding Sites and Explains Oncogenic Mutations

Hong Wu, Hong Zeng, [ ... ], Matthieu Schapira

Applying Physics-Based Scoring to Calculate Free Energies of Binding for Single Amino Acid Mutations in Protein-Protein Complexes

Hege Beard, Anuradha Cholleti, [ ... ], Kathryn A. Loving

Medium Chain Fatty Acids Are Selective Peroxisome Proliferator Activated Receptor (PPAR) γ Activators and Pan-PPAR Partial Agonists

Marcelo Vizoná Liberato, Alessandro S. Nascimento, [ ... ], Igor Polikarpov

Differential Sensitivity of ERBB2 Kinase Domain Mutations towards Lapatinib

Rama Krishna Kancha, Nikolas von Bubnoff, [ ... ], Justus Duyster

Homology Modeling of Dopamine D₂ and D₃ Receptors: Molecular Dynamics Refinement and Docking Evaluation

Chiara Bianca Maria Platania, Salvatore Salomone, [ ... ], Claudio Bucolo

Micromechanics of Sea Urchin Spines

Naomi Tsafnat, John D. Fitz Gerald, Hai N. Le, Zbigniew H. Stachurski

Triazole Fungicides Can Induce Cross-Resistance to Medical Triazoles in Aspergillus fumigatus

Eveline Snelders, Simone M. T. Camps, [ ... ], Paul E. Verweij

Cryo-EM Structure of HER2-trastuzumab-pertuzumab complex

Yue Hao, Xinchao Yu, [ ... ], Xin Huang

Molecular Dynamics Simulations Suggest Ligand’s Binding to Nicotinamidase/Pyrazinamidase

Ji-Long Zhang, Qing-Chuan Zheng, Zheng-Qiang Li, Hong-Xing Zhang

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