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Current Computer-Aided Drug Design|March 25, 2024
Repurposing of Compounds from Streptomyces spp. as Potential Inhibitors of Aminoacyltransferase FemA: An Essential Drug Target against Drug-resistant Staphylococcus aureusNarjes Noori Goodarzi, Behzad Shahbazi, Elham Haj Agha Gholizadeh Khiavi, et al.Current Computer-Aided Drug Design|March 15, 2024
Molecular Docking and ADMET Analysis Strategy-Based Stability Indicating RP-HPLC-PDA Method Development and Validation of ToremifeneShamshir Khan, Makhmur Ahmad, Zabih Ullah, et al.Current Computer-Aided Drug Design|March 14, 2024
Design, Synthesis, Antitumor Activity Evaluation, and Molecular Dynamics Simulation of Some 2-Aminopyrazine DerivativesHangrui Cui, Ruifeng Zhang, Xin Xiong, et al.Current Computer-Aided Drug Design|September 16, 2024
Computational Exploration of Isatin Derivatives for InhA Inhibition in Tuberculosis: Molecular Docking, MD Simulations and ADMET InsightsVaishali Pavalbhai Patel, Rati Kailash Prasad Tripathi, Abhay DharamsiCurrent Computer-Aided Drug Design|February 20, 2024
Natural Compound Dioscin Targeting Multiple Cancer Pathways through its High Affinity Binding to B Cell Lymphoma-2Shweta Gulia, Prakash Chandra, Asmita DasCurrent Computer-Aided Drug Design|February 13, 2024
WSHNN: A Weakly Supervised Hybrid Neural Network for the Identification of DNA-Protein Binding SitesWenzheng Bao, Baitong Chen, Yue ZhangCurrent Computer-Aided Drug Design|October 27, 2023
Synthesis, and In-silico Studies of Indole-chalcone Derivatives Targeting Estrogen Receptor Alpha (ER-α) for Breast CancerRahul Charudatta Choudhari, Kamalpreet Kaur, Agnidipta Das, et al.Current Computer-Aided Drug Design|October 18, 2023
Optimizing the Extraction of Polyphenols from the Bark of Terminalia arjuna and an In-silico Investigation on its Activity in Colorectal CancerTathagata Adhikary, Piyali BasakCurrent Computer-Aided Drug Design|October 19, 2023
Fluorinated Diaryl Sulfonamides: Molecular Modeling, Synthesis, and In Vitro Validation as New CETP InhibitorsReema Abu Khalaf, Azhar Shalluf, Maha HabashCurrent Computer-Aided Drug Design|August 18, 2023
WITHDRAWN: Anti-inflammatory and Anti-arthritic Properties of Mucuna gigantea Plant Extracts: Establishing by Molecular Docking StudySatish Kumar, Pratima Srivastava, Somdutt Mujwar, et al.Pageof 82