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Original Research

Published on 30 Sep 2022

In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents

in Medicinal and Pharmaceutical Chemistry

  • Upala Dasmahapatra
  • Chitluri Kiran Kumar
  • Soumyadip Das
  • Prathima Thimma Subramanian
  • Poornimaa Murali
  • Arnold Emerson Isaac
  • Karuppasamy Ramanathan
  • Balamurali MM
  • Kaushik Chanda
In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents
Frontiers in Chemistry
doi 10.3389/fchem.2022.991369
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  • 36 citations