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Current Computer-Aided Drug Design|January 4, 2023
Structure-guided Design and Optimization of small Molecules as Pancreatic Lipase Inhibitors using Pharmacophore, 3D-QSAR, Molecular Docking, and Molecular Dynamics Simulation StudiesShristi Modanwal, Viswajit Mulpuru, Nidhi MishraCurrent Computer-Aided Drug Design|January 25, 2023
Molecular Docking, ADMET Analysis and Molecular Dynamics (MD) Simulation to Identify Synthetic Isoquinolines as Potential Inhibitors of SARS-CoV-2 MPROPaulo Ricardo Dos Santos Correia, Alesson Henrique Donato de Souza, Andres Reyes Chaparro, et al.Current Computer-Aided Drug Design|January 13, 2023
Identification of Kaempferol as Viral Entry Inhibitor and DL-Arginine as Viral Replication Inhibitor from Selected Plants of Indian Traditional Medicine against COVID-19: An in silico Guided in vitro ApproachAdithya Jayaprakashkamath, Maneesha Murali, Bhagyalakshmi Nair, et al.Current Computer-Aided Drug Design|January 16, 2023
Identification of Novel Peptides as Potential Modulators of Aβ42 Amyloidogenesis: An in silico ApproachKavita Kundal, Santhosh Paramasivam, Amit Mitra, et al.Current Computer-Aided Drug Design|May 11, 2022
A Reverse Structure-based Design of HPV E7 InhibitorWan Chein Tan, Shatrah Othman, See Khai Lim, et al.Current Computer-Aided Drug Design|November 25, 2022
Integrating Bioinformatics and Network Pharmacology to Explore the Therapeutic Target and Molecular Mechanisms of Schisandrin on Hypertrophic CardiomyopathyChaozhuang Shen, Pingping Shen, Xiaohu Wang, et al.Current Computer-Aided Drug Design|October 28, 2020
In silico Binding Profile Analysis and In vitro Investigation on Chitin Synthase Substrate and Inhibitors from Maize Stem Borer, Chilo partellusSampathkumar Ranganathan, Dinakara Rao Ampasala, Bhagath Kumar Palaka, et al.Current Computer-Aided Drug Design|December 12, 2022
Detection of Cerebrovascular Diseases using Novel Discrete Component Wavelet Cosine TransformBandana Pal, Shruti JainCurrent Computer-Aided Drug Design|November 22, 2022
Benzothiazole Clubbed Imidazolone Derivatives: Synthesis, Molecular Docking, DFT Studies, and Antimicrobial StudiesNisheeth Desai, Abhay Maheta, Aratiba Jethawa, et al.Current Computer-Aided Drug Design|September 27, 2019
Mixed Ligand-metal Complexes of 2-(butan-2-ylidene) Hydrazinecarbothioamide- Synthesis, Characterization, Computer-Aided Drug Character Evaluation and in vitro Biological Activity AssessmentTahmeena Khan, Rumana Ahmad, Iqbal Azad, et al.Pageof 82