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6 articles related to "Pass Prediction"

Articles

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
Frontiers in Chemistry
doi 10.3389/fchem.2022.991369
  • 23,820 views
  • 98 citations

Original Research

Published on 27 Sep 2022

Development of new bioactive molecules to treat breast and lung cancer with natural myricetin and its derivatives: A computational and SAR approach

in Clinical and Diagnostic Microbiology and Immunology

  • Shopnil Akash
  • Ajoy Kumer
  • Md. Mominur Rahman
  • Talha Bin Emran
  • Rohit Sharma
  • Rajeev K. Singla
  • Fahad A. Alhumaydhi
  • Mayeen Uddin Khandaker
  • Moon Nyeo Park
  • Abubakr M. Idris
Frontiers in Cellular and Infection Microbiology
doi 10.3389/fcimb.2022.952297
  • 7,798 views
  • 18 citations