Selectins—The Two Dr. Jekyll and Mr. Hyde Faces of Adhesion Molecules—A Review

by Igor Tvaroška, Chandrabose Selvaraj, Jaroslav Koča
Published 2020-06-01

Editorial: Novel Therapeutic Interventions Against Infectious Diseases: COVID-19

by Sugunadevi Sakkiah, Brijesh Kumar Singh, Keun Woo Lee, Chandrabose Selvaraj
Published 2022-03-01

Editorial: Molecular level atomistic and structural insights on biological macromolecules, inhibition, and dynamics studies

by Chandrabose Selvaraj, Emilia Pedone, Jung-Kul Lee, Sanjeev Kumar Singh
Published 2024-03-01

Editorial: Molecular Studies of Covid-19 Chemistry

by Domenica Capasso, Domenica Capasso, Sonia Di Gaetano, Chandrabose Selvaraj, Emilia Pedone
Published 2021-08-01

Elucidation of Agonist and Antagonist Dynamic Binding Patterns in ER-α by Integration of Molecular Docking, Molecular Dynamics Simulations and Quantum Mechanical Calculations

by Sugunadevi Sakkiah, Chandrabose Selvaraj, Wenjing Guo, Jie Liu, Weigong Ge, Tucker A. Patterson, Huixiao Hong
Published 2021-08-01

Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19

by Satyavani Kaliamurthi, Gurudeeban Selvaraj, Chandrabose Selvaraj, Sanjeev Kumar Singh, Dong-Qing Wei, Gilles H. Peslherbe
Published 2021-06-01

Bias-force guided simulations combined with experimental validations towards GPR17 modulators identification

by Sana Kari, Akshaya Murugesan, Ramesh Thiyagarajan, Srivatsan Kidambi, Jamoliddin Razzokov, Chandrabose Selvaraj, Meenakshisundaram Kandhavelu, Parthiban Marimuthu
Published 2023-04-01

Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

by Chandrabose Selvaraj, Umesh Panwar, Dhurvas Chandrasekaran Dinesh, Evzen Boura, Poonam Singh, Vikash Kumar Dubey, Sanjeev Kumar Singh
Published 2021-01-01

Interrogation of Bacillus anthracis SrtA active site loop forming open/close lid conformations through extensive MD simulations for understanding binding selectivity of SrtA inhibi...

by Chandrabose Selvaraj, Gurudeeban Selvaraj, Randa Mohamed Ismail, Rajendran Vijayakumar, Alaa Baazeem, Dong-Qing Wei, Sanjeev Kumar Singh
Published 2021-07-01

In silico and in vitro studies on the protein-protein interactions between Brugia malayi immunomodulatory protein calreticulin and human C1q.

by Sunita Yadav, Smita Gupta, Chandrabose Selvaraj, Pawan Kumar Doharey, Anita Verma, Sanjeev Kumar Singh, Jitendra Kumar Saxena
Published 2014-01-01

Assessing Leaching of Potentially Hazardous Elements from Cookware during Cooking: A Serious Public Health Concern

by Saif Ali Ali Sultan, Fawad Ahmed Khan, Abdul Wahab, Batool Fatima, Hira Khalid, Ali Bahader, Sher Zaman Safi, Chandrabose Selvaraj, Abid Ali, Suliman Yousef Alomar, Muhammad Imran
Published 2023-07-01