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Current Computer-Aided Drug Design|January 16, 2020
Molecular Dynamics Assisted Mechanistic Insight of Val430-Ala Mutation of Rv1592c Protein in Isoniazid Resistant Mycobacterium TuberculosisArbind Kumar, Pradeep K Anand, Saahil Chandel, et al.Current Computer-Aided Drug Design|February 1, 2020
Design, Synthesis, Docking and Biological Evaluation of Novel 4-hydroxy Coumarin DerivativesN Ramalakshmi, S R Chitra, P Manimegalai, et al.Current Computer-Aided Drug Design|February 1, 2020
Computer Assisted Models for Blood Brain Barrier Permeation of 1, 5-BenzodiazepinesRakesh P Dhavale, Prafulla B Choudhari, Manish S BhatiaCurrent Computer-Aided Drug Design|February 2, 2019
Computational Outlook of Marine Compounds as Anti-Cancer Representatives Targeting BCL-2 and SurvivinEram Shakeel, Rajnish Kumar, Neha Sharma, et al.Current Computer-Aided Drug Design|December 22, 2018
Non Nucleoside Reverse Transcriptase Inhibitors, Molecular Docking Studies and Antitubercular Activity of Thiazolidin-4-one DerivativesTrupti S Chitre, Shital M Patil, Anagha G Sujalegaonkar, et al.Current Computer-Aided Drug Design|December 11, 2019
Synthesis, SAR, In silico Appraisal and Anti-Microbial Study of Substituted 2-aminobenzothiazoles DerivativesDevidas G Anuse, Suraj N Mali, Bapu R Thorat, et al.Current Computer-Aided Drug Design|November 3, 2025
TOP-BIOCom: A Feature Fusion-based Prediction of Protein Complexes from PPI NetworksMadiha Faqir Hussain, Muhammad Hassan Jamal, Muhammad Waqas AnwarCurrent Computer-Aided Drug Design|November 3, 2025
Mechanism of Coptisine in Rotator Cuff Injury: PI3K/Akt/mTORinflammation Crosstalk Uncovered by Network Pharmacology and Experimental ValidationJinyao Shang, Zhenyu Yuan, Yufeng Wang, et al.Current Computer-Aided Drug Design|April 30, 2025
In Silico Identification of 2,4-Diaryl-6-styrylpyridine Derivatives as Orthosteric-Allosteric EGFR InhibitorsHarizal -, Jumina -, Harno Dwi Pranowo, et al.Current Computer-Aided Drug Design|October 23, 2025
Identification of Potential Phytochemical Inhibitors of DNMT1 through Virtual Screening and Molecular Dynamics Simulation to Promote Diabetic Wound HealingKaarthik Saravanan, Reena Rajkumari BaskaranPageof 82