Advertisement

Browse Subject Areas

?

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

For more information about PLOS Subject Areas, click here.

Protein interactions

2D-QSAR-guided design of potent carbamate-based inhibitors of acetylcholinesterase

Meriem Khedraoui, El Mehdi Karim, Oussama Abchir, Abdelkbir Errougui, Yasir S. Raouf, Abdelouahid Samadi, Samir Chtita

published 20 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Integrating in vitro and in silico approaches for exploring antidiabetic potential of dimethyl and thiomethyl indolinone derivatives

Kashif Ali, Ahmed A. Elhenawy, Waqas Alam, Khalaf F. Alsharif, Khalid J. Alzahrani, Haroon Khan, Long Chiau Ming, Rahul G. Ingle

published 16 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

In silico analysis to explore the therapeutic potential of propolis-derived small molecules as matriptase inhibitors to suppress breast cancer growth and metastasis

Muhammad Bilal Azmi, Han Yu, Arisha Sohail, Uzma Asif, Syed Danish Haseen Ahmed, Shamim Akhtar Qureshi, Mohnad Abdalla

published 14 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

iProtDNA-SMOTE: Enhancing protein-DNA binding sites prediction through imbalanced graph neural networks

Ruiyan Huang, Wangren Qiu, Xuan Xiao, Weizhong Lin

published 13 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Construction and application of SARS-CoV-2 protein ontology (CoVPO)

Aaron Nkhata, Xiaona Shi, Yongjuan Zhang, Heng Chen

published 12 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Unraveling potential EGFR kinase inhibitors: Computational screening, molecular dynamics insights, and MMPBSA analysis for targeted cancer therapy development

Muhammad Naseem Khan, Umar Farooq, Aneela Khushal, Tanveer A. Wani, Seema Zargar, Sara Khan

published 09 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Two different and robustly modeled DNA binding modes of Competence Protein ComP - systematic modeling with AlphaFold 3, RoseTTAFold2NA, Chai-1 and re-docking in HADDOCK

Stian Aleksander Helsem, Kristian Alfsnes, Stephan A. Frye, Alexander Hesselberg Løvestad, Ole Herman Ambur

published 08 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Virtual screening and molecular dynamics simulation study of ATP-competitive inhibitors targeting mTOR protein

Mei-Yu Jin, Hao Yu, Qiong Deng, Zhu Wang, Jie-Yan Wang, Hao-Long Li, Hui Liang

published 05 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Mechanistic insights into Alpha-Synuclein binding to P2RX7: A molecular dynamic and docking study

Mukesh Kumar, Kanchan Singh, Jayant Joshi, Shreya Sharma, Amit Kumar, Karuna Irungbam, Manish Mahawar, Mohini Saini

published 02 May 2025

Loading metrics information...

Metrics unavailable. Please check back later.

In silico studies provide new structural insights into trans-dimerization of β₁ and β₂ subunits of the Na⁺, K⁺-ATPase

Gema Ramírez-Salinas, Liora Shoshani, Jorge L. Rosas-Trigueros, Christian Sosa Huerta, Marlet Martínez-Archundia

published 29 Apr 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Exploring the antimicrobial and antibiofilm potency of four essential oils against selected human pathogens using in vitro and in silico approaches

Kamal A. Qureshi, Adil Parvez, Humaira Ismatullah, Hanan Almahasheer, Osamah Al Rugaie

published 24 Apr 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Methylome and transcriptome analyses reveal HLA-DMB’s contribution to periodontitis development

Bo Zhao, Ronghua Li

published 23 Apr 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Molecular simulation-based investigation of thiazole derivatives as potential LasR inhibitors of Pseudomonas aeruginosa

Snigdha Bhardwaj, Kandasamy Nagarajan, Halima Mustafa Elagib, Sadaf Anwar, Mohammad Zeeshan Najm, Tulika Bhardwaj, Mohd Adnan Kausar

published 22 Apr 2025

Loading metrics information...

Metrics unavailable. Please check back later.

Advertisement

Create a weekly email alert for: Protein interactions

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