Docking‐based approach for identification of mutations that disrupt binding between Bcl‐2 and Bax proteins: Inducing apoptosis in cancer cells by Pawan Kumar Raghav, Rajesh Kumar, Vinod Kumar, Gajendra P. S. Raghava

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DNA structural properties of DNA binding sites for 21 transcription factors in the mycobacterial genome by Upalabdha Dey, Kaushika Olymon, Anikesh Banik, Eshan Abbas, Venkata Rajesh Yella, Aditya Kumar

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Identification of inhibitor binding site in human sirtuin 2 using molecular docking and dynamics simulations. by Sugunadevi Sakkiah, Mahreen Arooj, Manian Rajesh Kumar, Soo Hyun Eom, Keun Woo Lee

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Structural insights into conformational stability and binding of thiazolo-[2,3-b] quinazolinone derivatives with EGFR-TKD and in-vitro study by Showkat Ahmad Mir, Prajna Paramita Mohanta, Rajesh Kumar Meher, Iswar baitharu, Mukesh Kumar Raval, Ajaya Kumar Behera, Binata Nayak

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Molecular dynamic simulation, free binding energy calculation of Thiazolo-[2,3-b]quinazolinone derivatives against EGFR-TKD and their anticancer activity by Showkat Ahmad Mir, Rajesh Kumar Meher, Iswar Baitharu, Binata Nayak

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Assessing Differential Binding of Aggregation-Induced Emission-Based Luminogens to Host Interacting Surface Proteins of SARS-CoV-2 and Influenza Virus–An in silico Approach by Karunakar Tanneeru, Naveen Kumar Bhatraju, Rajesh S. Bhosale, Suresh K. Kalangi

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Targeting the PEDV 3CL protease for identification of small molecule inhibitors: an insight from virtual screening, ADMET prediction, molecular dynamics, free energy landscape, and... by Rajesh Kumar Pathak, Won-Il Kim, Jun-Mo Kim

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Comparative structural modeling of six old yellow enzymes (OYEs) from the necrotrophic fungus Ascochyta rabiei: insight into novel OYE classes with differences in cofactor binding,... by Shadab Nizam, Rajesh Kumar Gazara, Sandhya Verma, Kunal Singh, Praveen Kumar Verma

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CD4-Binding Site Directed Cross-Neutralizing scFv Monoclonals from HIV-1 Subtype C Infected Indian Children by Sanjeev Kumar, Rajesh Kumar, Lubina Khan, Muzamil Ashraf Makhdoomi, Ramachandran Thiruvengadam, Madhav Mohata, Mudit Agarwal, Rakesh Lodha, Sushil Kumar Kabra, Subrata Sinha, Kalpana Luthra

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Plasma-Derived Extracellular Vesicles Reveal Galectin-3 Binding Protein as Potential Biomarker for Early Detection of Glioma by Rashmi Rana, Kirti Chauhan, Poonam Gautam, Mahesh Kulkarni, Reema Banarjee, Parul Chugh, Satnam Singh Chhabra, Rajesh Acharya, Samir Kumar Kalra, Anshul Gupta, Sunila Jain, Nirmal Kumar Ganguly

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Virtual screening, molecular dynamics and binding energy-MM-PBSA studies of natural compounds to identify potential EcR inhibitors against Bemisia tabaci Gennadius by Harmilan Kaur Mangat, Manisha Rani, Rajesh Kumar Pathak, Inderjit Singh Yadav, Divya Utreja, Pardeep Kumar Chhuneja, Parveen Chhuneja

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Virtual screening, molecular dynamics and binding energy-MM-PBSA studies of natural compounds to identify potential EcR inhibitors against Bemisia tabaci Gennadius. by Harmilan Kaur Mangat, Manisha Rani, Rajesh Kumar Pathak, Inderjit Singh Yadav, Divya Utreja, Pardeep Kumar Chhuneja, Parveen Chhuneja

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Computational, antimicrobial, DNA binding and anticancer activities of pyrimidine incorporated ligand and its copper(II) and zinc(II) complexes by Sankarganesh Murugesan, Revathi Nagaraj, Raja Jeyaraj Dhaveethu, Sakthikumar Karunganathan, Vinoth Kumar Gujuluva Gangatharan, Rajesh Jegathalaprathaban, Rajalakshmi Manikkam, Mitu Liviu

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MICU1 Motifs Define Mitochondrial Calcium Uniporter Binding and Activity by Nicholas E. Hoffman, Harish C. Chandramoorthy, Santhanam Shamugapriya, Xueqian Zhang, Sudarsan Rajan, Karthik Mallilankaraman, Rajesh Kumar Gandhirajan, Ronald J. Vagnozzi, Lucas M. Ferrer, Krishnalatha Sreekrishnanilayam, Kalimuthusamy Natarajaseenivasan, Sandhya Vallem, Thomas Force, Eric T. Choi, Joseph Y. Cheung, Muniswamy Madesh

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Molecular modeling and simulations of some antiviral drugs, benzylisoquinoline alkaloid, and coumarin molecules to investigate the effects on Mpro main viral protease inhibition by Showkat Ahmad Mir, Rajesh Kumar Meher, Binata Nayak

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A Stabilized, Monomeric, Receptor Binding Domain Elicits High-Titer Neutralizing Antibodies Against All SARS-CoV-2 Variants of Concern by Shahbaz Ahmed, Mohammad Suhail Khan, Savitha Gayathri, Randhir Singh, Sahil Kumar, Unnatiben Rajeshbhai Patel, Sameer Kumar Malladi, Raju S. Rajmani, Petrus Jansen van Vuren, Shane Riddell, Sarah Goldie, Nidhi Girish, Poorvi Reddy, Aditya Upadhyaya, Suman Pandey, Samreen Siddiqui, Akansha Tyagi, Sujeet Jha, Rajesh Pandey, Oyahida Khatun, Oyahida Khatun, Rohan Narayan, Rohan Narayan, Shashank Tripathi, Shashank Tripathi, Alexander J. McAuley, Nagendrakumar Balasubramanian Singanallur, Seshadri S. Vasan, Seshadri S. Vasan, Rajesh P. Ringe, Raghavan Varadarajan

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INI1/SMARCB1 Rpt1 domain mimics TAR RNA in binding to integrase to facilitate HIV-1 replication by Updesh Dixit, Savita Bhutoria, Xuhong Wu, Liming Qiu, Menachem Spira, Sheeba Mathew, Richard Harris, Lucas J. Adams, Sean Cahill, Rajiv Pathak, P. Rajesh Kumar, Minh Nguyen, Seetharama A. Acharya, Michael Brenowitz, Steven C. Almo, Xiaoqin Zou, Alasdair C. Steven, David Cowburn, Mark Girvin, Ganjam V. Kalpana

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A short chemically modified dsRNA-Binding PNA (dbPNA) inhibits influenza viral replication by targeting viral RNA panhandle structure by Kesy, Julita, Patil, Kiran M., Kumar, Subaschandrabose Rajesh, Shu, Zhiyu, Yong, Hui Yee, Zimmermann, Louis, Ong, Alan Ann Lerk, Toh, Desiree-Faye Kaixin, Krishna, Manchugondanahalli S., Yang, Lixia, Decout, Jean-Luc, Luo, Dahai, Prabakaran, Mookkan, Chen, Gang, Kierzek, Elzbieta

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Collagen-specific chaperone, heat shock protein 47 kDa (HSP47)-pathway and expression patterns in cancer by Alisha Parveen, Rajesh Kumar, Abhishek Kumar

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Common Principles and Specific Mechanisms of Mitophagy from Yeast to Humans by Rajesh Kumar, Andreas S. Reichert

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