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Current Computer-Aided Drug Design|February 24, 2021
Antioxidant, Cytotoxic Activity and Pharmacokinetic Studies by Swiss Adme, Molinspiration, Osiris and DFT of PhTAD-substituted Dihydropyrrole DerivativesArif Ayar, Masuk Aksahin, Seda Mesci, et al.Current Computer-Aided Drug Design|March 7, 2017
Adsorption of Antifungal Drugs Inside Pristine and Functionalized Fullerenes and Nanotubes: DFT InvestigationTomasz Pieńko, Monika Grudzień, Przemysław Paweł Taciak, et al.Current Computer-Aided Drug Design|March 7, 2017
CAPi: Computational Model for Apicoplast Inhibitors Prediction Against Plasmodium ParasiteSurabhi Dixit, Deepak SinglaCurrent Computer-Aided Drug Design|October 4, 2019
Molecular Modeling and Docking of Aquaporin Inhibitors to Reveal New Insights into Schistosomiasis TreatmentMeshari AlazmiCurrent Computer-Aided Drug Design|May 20, 2025
Validation of the Mechanism of Action of Jiedu Shengji Oil in the Treatment of Radiation Dermatitis based on Network Pharmacology and In Vivo ExperimentsWeishan He, Guangmei Deng, Wenya Liu, et al.Current Computer-Aided Drug Design|May 12, 2025
Screening of the Prodiginine Molecules as BH3-Mimetics against the Developed Bcl-2 Antiapoptotic Chemotherapeutic Resistance: A Molecular Docking and ADMET Study Supported by Molecular Dynamics SimulationsAyoub El Abbassi, Salaheddine Redouane, Zineb Azoubi, et al.Current Computer-Aided Drug Design|February 15, 2026
Jinwei Guben Formula (Jinwei Formula II) Modulates Neutrophil Extracellular Trap Formation and Enhances Glucocorticoid Efficacy in COPD Through HDAC2 RegulationJianjun Wu, Wenjuan Zhang, Deyu Kong, et al.Current Computer-Aided Drug Design|May 25, 2013
Shannon's, mutual, conditional and joint entropy information indices: generalization of global indices defined from local vertex invariantsStephen J Barigye, Yovani Marrero-Ponce, Oscar Martinez Santiago, et al.Current Computer-Aided Drug Design|May 25, 2013
OCWLGI descriptors: theory and praxisAndrey A Toropov, Alla P Toropova, Emilio Benfenati, et al.Current Computer-Aided Drug Design|May 25, 2013
Information theoretic entropy for molecular classification: oxadiazolamines as potential therapeutic agentsFrancisco Torrens, Gloria CastellanoPageof 82