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Advances in Protein Chemistry and Structural Biology|January 27, 2023
Exploring the macromolecules for secretory pathway in cancer diseaseChandrabose Selvaraj, Umesh Panwar, Karthik Raja Ramalingam, et al.
Journal of Biomolecular Structure & Dynamics|June 23, 2020
Structure-based virtual screening and molecular dynamics simulation of SARS-CoV-2 Guanine-N7 methyltransferase (nsp14) for identifying antiviral inhibitors against COVID-19Chandrabose Selvaraj, Dhurvas Chandrasekaran Dinesh, Umesh Panwar, et al.
Asian Pacific Journal of Cancer Prevention : APJCP|April 30, 2019
An In silico Approach to Identify High Affinity Small Molecule Targeting m-TOR Inhibitors for the Clinical Treatment of Breast CancerKhushboo Patidar, Umesh Panwar, Sugunakar Vuree, et al.
Frontiers in Chemistry|February 15, 2021
Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main ProteaseChandrabose Selvaraj, Umesh Panwar, Dhurvas Chandrasekaran Dinesh, et al.
Current Topics in Medicinal Chemistry|July 5, 2020
Shape-based Machine Learning Models for the Potential Novel COVID-19 Protease Inhibitors Assisted by Molecular Dynamics SimulationAnuraj Nayarisseri, Ravina Khandelwal, Maddala Madhavi, et al.
Computers in Biology and Medicine|January 3, 2026
1-oxa-3,7-diazaspiro[4.5]decan-2-one derivatives as potent KRAS-G12D inhibitors: A multidisciplinary approach integrating machine learning, synthesis, and biological evaluationSungwook Ryu, Mohammad Hassan Baig, Umesh Panwar, et al.
Scientific Reports|June 10, 2024
Potential inhibitors of VEGFR1, VEGFR2, and VEGFR3 developed through Deep Learning for the treatment of Cervical CancerAnuraj Nayarisseri, Mohnad Abdalla, Isha Joshi, et al.
Medicinal Chemistry (Shariqah (United Arab Emirates))|November 6, 2023
Unveiling the ESR1 Conformational Stability and Screening Potent Inhibitors for Breast Cancer TreatmentKhushboo Sharma, Umesh Panwar, Maddala Madhavi, et al.
Applied Biochemistry and Biotechnology|March 28, 2023
Structure-Based Virtual Screening, Molecular Docking, Molecular Dynamics Simulation of EGFR for the Clinical Treatment of GlioblastomaAnushka Bhrdwaj, Mohnad Abdalla, Aditi Pande, et al.
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