Assessment of Amyloid Forming Tendency of Peptide Sequences from Amyloid Beta and Tau Proteins Using Force-Field, Semi-Empirical, and Density Functional Theory Calculations

por Muvva, Charuvaka, Murugan, Natarajan Arul, Subramanian, Venkatesan
Publicado 2021

Improved Binding Affinity of Omicron’s Spike Protein for the Human Angiotensin-Converting Enzyme 2 Receptor Is the Key behind Its Increased Virulence

por Kumar, Rajender, Murugan, Natarajan Arul, Srivastava, Vaibhav
Publicado 2022

Computational investigation on Andrographis paniculata phytochemicals to evaluate their potency against SARS-CoV-2 in comparison to known antiviral compounds in drug trials

por Murugan, Natarajan Arul, Pandian, Chitra Jeyaraj, Jeyakanthan, Jeyaraman
Publicado 2020

Searching for target-specific and multi-targeting organics for Covid-19 in the Drugbank database with a double scoring approach

por Murugan, Natarajan Arul, Kumar, Sanjiv, Jeyakanthan, Jeyaraman, Srivastava, Vaibhav
Publicado 2020

Glycosmis pentaphylla (Rutaceae): A Natural Candidate for the Isolation of Potential Bioactive Arborine and Skimmianine Compounds for Controlling Multidrug-Resistant Staphylococcus...

por Murugan, Natarajan, Srinivasan, Ramalingam, Murugan, Athiappan, Kim, Myunghee, Natarajan, Devarajan
Publicado 2020

Destabilization of amyloid fibrils on interaction with MoS(2)-based nanomaterials

por Mudedla, Sathish Kumar, Murugan, Natarajan Arul, Subramanian, Venkatesan, Agren, Hans
Publicado 2019

Performance of Force-Field- and Machine Learning-Based Scoring Functions in Ranking MAO-B Protein–Inhibitor Complexes in Relevance to Developing Parkinson’s Therapeutics

por Murugan, Natarajan Arul, Muvva, Charuvaka, Jeyarajpandian, Chitra, Jeyakanthan, Jeyaraman, Subramanian, Venkatesan
Publicado 2020

Nonempirical Simulations of Inhomogeneous Broadening of Electronic Transitions in Solution: Predicting Band Shapes in One- and Two-Photon Absorption Spectra of Chalcones

por Bednarska, Joanna, Zaleśny, Robert, Tian, Guangjun, Murugan, Natarajan Arul, Ågren, Hans, Bartkowiak, Wojciech
Publicado 2017

A Review on Parallel Virtual Screening Softwares for High-Performance Computers

por Murugan, Natarajan Arul, Podobas, Artur, Gadioli, Davide, Vitali, Emanuele, Palermo, Gianluca, Markidis, Stefano
Publicado 2022

Structure-based drug designing and immunoinformatics approach for SARS-CoV-2

por Panda, Pritam Kumar, Arul, Murugan Natarajan, Patel, Paritosh, Verma, Suresh K., Luo, Wei, Rubahn, Horst-Günter, Mishra, Yogendra Kumar, Suar, Mrutyunjay, Ahuja, Rajeev
Publicado 2020

Applying polypharmacology approach for drug repurposing for SARS-CoV2

por Jamir, Esther, Sarma, Himakshi, Priyadarsinee, Lipsa, Nagamani, Selvaraman, Kiewhuo, Kikrusenuo, Gaur, Anamika Singh, Rawal, Ravindra K, Murugan, Natarajan Arul, Subramanian, Venkatesan, Sastry, G Narahari
Publicado 2022

Sustainable chemical preventive models in COVID-19: Understanding, innovation, adaptations, and impact

por Mishra, Abhishek, Choudhary, Meenakshi, Das, Trupti R., Saren, Pupulata, Bhattacherjee, Prama, Thakur, Nitika, Tripathi, Sunil Kumar, Upadhaya, Shashank, Kim, Heui-Soo, Murugan, Natarajan Arul, Tiwari, Ashutosh, Patra, Santanu, Hussain, Chaudhery Mustansar, Mishra, Anshuman, Shukla, Sudheesh K., Joshi, Girish M.
Publicado 2021