Rohitash Yadav - Dissemin

All papers authored by Rohitash Yadav

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2023 Shraddha M. Gupta

, Neetesh K. Jain, Rohitash Yadav

, Meryem Erol, Ashok Behera

, Ismail Celik, Manish Gupta

Computational Investigation of the Interaction of Novel Indene Methylene Analogues with Acetylcholinesterase from Both Dynamic and Thermodynamic Perspectives

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Rohitash Yadav

, Uttam Kumar Nath, Ismail Celik

, Shailendra Handu, Neeraj Jain, Puneet Dhamija

Identification and in-vitro analysis of potential proteasome inhibitors targeting PSMβ5 for multiple myeloma

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2021 Jamelah S. Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Rohitash Yadav

Structural and reactivity studies of pravadoline –An ionic liquid, with reference to its wavefunction-relative properties using DFT and MD simulation

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Rohitash Yadav

, Shazia Hasan, Sumit Mahato, Ismail Celik

, Y. S. Mary

, Ashish Kumar, Puneet Dhamija, Ambika Sharma, Neha Choudhary, Pankaj Kumar Chaudhary, Ankita Singh Kushwah, Jitendra Kumar Chaudhary

Molecular docking, DFT analysis, and dynamics simulation of natural bioactive compounds targeting ACE2 and TMPRSS2 dual binding sites of spike protein of SARS CoV-2

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Jitendra Kumar Chaudhary

, Rohitash Yadav

, Pankaj Kumar Chaudhary, Anurag Maurya, Nimita Kant, Osamah Al Rugaie

, Hoineiting Rebecca Haokip, Deepika Yadav

, Rakesh Roshan, Ramasare Prasad

, Apurva Chatrath, Dharmendra Singh

, Neeraj Jain

, Puneet Dhamija

Insights into COVID-19 Vaccine Development Based on Immunogenic Structural Proteins of SARS-CoV-2, Host Immune Responses, and Herd Immunity

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Shikha Mudgal, Rohitash Yadav

, Hoineiting Rebecca Haokip, Ananya Pandit, Y. Sheena Mary

Genomic variation and point mutations analysis of Indian COVID-19 patient samples submitted in GISAID database

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Jitendra Kumar Chaudhary

, Rohitash Yadav

, Pankaj Kumar Chaudhary, Anurag Maurya, Rakesh Roshan, Faizul Azam

, Jyoti Mehta, Shailendra Handu, Ramasare Prasad

, Neeraj Jain

, Avaneesh Kumar Pandey, Puneet Dhamija

Host Cell and SARS-CoV-2-Associated Molecular Structures and Factors as Potential Therapeutic Targets

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Ismail Celik

, Rohitash Yadav

, Zekeriya Duzgun

, Sarah Albogami

, Ahmed M. El-Shehawi

, Fatimawali Fatimawali, Rinaldi Idroes

, Trina Ekawati Tallei, Talha Bin Emran

Interactions of the Receptor Binding Domain of SARS-CoV-2 Variants with hACE2: Insights from Molecular Docking Analysis and Molecular Dynamic Simulation

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Y. Sheena Mary, Y. Shyma Mary, Stevan Armaković, Sanja J. Armaković, Rohitash Yadav

, Ismail Celik

, Pratap Mane, Brahmananda Chakraborty

Stability and reactivity study of bio-molecules brucine and colchicine towards electrophile and nucleophile attacks: Insight from DFT and MD simulations

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Y. Sheena Mary, Y. Shyma Mary, Stevan Armaković, Sanja J. Armaković, Rohitash Yadav

, Ismail Celik

, Razieh Razavi

Investigation of reactive properties, adsorption on fullerene, DFT, molecular dynamics simulation of an anthracene derivative targeting dihydrofolate reductase and human dUTPase

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Y. Sheena Mary, Y. Shyma Mary, Rohitash Yadav

, Ismail Celik, Ali Shokuhi Rad

, S. Sarala

MD, DFT Investigations and Inhibition of the Novel SARS- CoV-2 Mainprotease in Three Cocrystals of Hydrochloro- thiazide

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Ashish Kothari, Prashant Rajput, Vanya Singh, Rohitash Yadav

, Karanvir Kaushal, Neeraj Jain, Balram Ji Omar

Multidrug Resistance Behaviors of Clinical Pseudomonas aeruginosa Strains Associated to Pigment Coloration

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Y. Sheena Mary

, Y. Shyma Mary, K. S. Resmi, S. Sarala, Rohitash Yadav

, Ismail Celik

Modeling the structural and reactivity properties of hydrazono methyl-4H-chromen-4-one derivatives—wavefunction-dependent properties, molecular docking, and dynamics simulation studies

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Y. Sheena Mary

, Y. Shyma Mary, Ozlem Temiz-Arpaci, Rohitash Yadav

, Ismail Celik

DFT, docking, MD simulation, and vibrational spectra with SERS analysis of a benzoxazole derivative: an anti-cancerous drug

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Rohitash Yadav

, Jitendra Kumar Chaudhary

, Neeraj Jain

, Pankaj Kumar Chaudhary, Supriya Khanra

, Puneet Dhamija

, Ambika Sharma, Ashish Kumar, Shailendra Handu

Role of Structural and Non-Structural Proteins and Therapeutic Targets of SARS-CoV-2 for COVID-19

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Y. Sheena Mary

, Y. Shyma Mary, Stevan Armaković, Sanja J. Armaković, Magdalena Pakosinska-Parys, Rohitash Yadav

, Ismail Celik

Investigation of reactive properties of an antiviral azatricyclo derivative–KDFT, MD and docking simulations

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Y. Sheena Mary, Y. Shyma Mary, Ali Shokuhi Rad, Rohitash Yadav

, Ismail Celik

, S. Sarala

Theoretical investigation on the reactive and interaction properties of sorafenib – DFT, AIM, spectroscopic and Hirshfeld analysis, docking and dynamics simulation

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AmolN Patil, MPraveen Kumar, Rohitash Yadav

, Sourabh Kosey, Tapan Behl, J. Kumaravel

Drug information services in low-resource setting: a responsibility of pharmacists or pharmacologists or both the professions conjointly

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2020 R. D. Parihar, U. Dhiman, P. Dhamija, Rohitash Yadav

, S. K. Upadhyay, M. Imran, S. K. Behera, T. S. Keshava Prasad

Docking of FDA Approved Drugs Targeting NSP-16, N- Protein and Main Protease of SARS-CoV-2 as Dual Inhibitors

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Rajan Rolta, Rohitash Yadav

, Deeksha Salaria, Shubham Trivedi, Mohammad Imran, Anuradha Sourirajan, David J. Baumler, Kamal Dev

In silico screening of hundred phytocompounds of ten medicinal plants as potential inhibitors of nucleocapsid phosphoprotein of COVID-19: an approach to prevent virus assembly

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All papers authored by Rohitash Yadav