• QSAR Studies on HIV-1 Protease—A Battle against HIV Using Computational Chemistry ()
  Pokala Sai Kovela Sanjana, Radhika Vangala, Sree Kanth Sivan
  Computational Chemistry Vol.13 No.1,  January 27, 2025
  DOI: 10.4236/cc.2025.131001  85 Downloads   569 Views   Citations
  This article belongs to the Special Issue on

• DNA Base Pairs Sensors: DFT, QTAIM and NCI-RDG Study ()
  Nour Elyakine Amraoui, Dalila Hammoutène
  Computational Chemistry Vol.12 No.4,  October 31, 2024
  DOI: 10.4236/cc.2024.124004  175 Downloads   1,014 Views   Citations
  This article belongs to the Special Issue on

• S_EAr Mechanism of the Products of 1,2-Dimethoxybenzene and a Captodative Olefin: A Theoretical Approach ()
  René Santana-García, Judit Aviña-Verduzco, Rafael Herrera-Bucio, Pedro Navarro-Santos
  Computational Chemistry Vol.12 No.3,  October 9, 2024
  DOI: 10.4236/cc.2024.123003  153 Downloads   933 Views   Citations
  This article belongs to the Special Issue on

• Prediction of the Photofading of Selected Derivatives of 5-(4-X-Phenylazo)-3-Cyano-1-(H or Ethyl)-6-Hydroxy-4-Methyl-2-Pyridone: Theoretical Studies, Comparison of AM1 and PM3 Methods ()
  Krzysztof Wojciechowski, Lucjan Szuster
  Computational Chemistry Vol.12 No.2,  April 30, 2024
  DOI: 10.4236/cc.2024.122002  184 Downloads   658 Views   Citations
  This article belongs to the Special Issue on

• Theoretical Investigation on the Stability and Reactivity of Imidazo [1,2-a] Pyridine N-Acylhydrazone Derivatives Using Density Functional Theory ()
  Camara Tchambaga Etienne, Sangare Kassoum, Dosso Ouehi, Ablo Evrard, Sekou Diomande, Souleymane Coulibaly, Siomenan Coulibali
  Computational Chemistry Vol.12 No.1,  January 31, 2024
  DOI: 10.4236/cc.2024.121001  251 Downloads   931 Views   Citations
  This article belongs to the Special Issue on

• DFT-Based Chemical Reactivity Descriptors, Pharmacokinetics and Molecular Docking Studies of Thymidine Derivatives ()
  Mohammad Ahad Hossain, Shahin Sultana, Mohammad Mazherul Islam, Sonia Akhter, Faria Nur, Fatima Majabin, Kantom Islam, Kazi Jawad Hossain, Yasuhiro Ozeki, Sarkar M. A. Kawsar
  Computational Chemistry Vol.11 No.4,  October 31, 2023
  DOI: 10.4236/cc.2023.114006  409 Downloads   1,912 Views   Citations
  This article belongs to the Special Issue on

• Design of New Thiadiazole Derivatives with Improved Antidiabetic Activity ()
  Chiépi Nadège Dominique Dou, Georges Stéphane Dembele, Mamadou Guy-Richard Kone, Nanou Tiéba Tuo, Fandia Konate, Adama Niare, Panaghiotis Karamanis, Nahossé Ziao
  Computational Chemistry Vol.11 No.3,  July 26, 2023
  DOI: 10.4236/cc.2023.113005  332 Downloads   1,320 Views   Citations
  This article belongs to the Special Issue on