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Current Computer-Aided Drug Design|August 24, 2025
Elucidating the Mechanisms of a Patented Chinese Herbal Medicine for Ovarian Cystadenoma via Network Pharmacology, Molecular Docking, and Molecular Dynamics SimulationsQianping Wang, Yonghui YuCurrent Computer-Aided Drug Design|May 22, 2015
Docking modes of BB-3497 into the PDF active site--a comparison of the pure MM and QM/MM based docking strategiesTripti Kumari, Upasana Issar, Rita KakkarCurrent Computer-Aided Drug Design|May 22, 2015
3D-QSAR analysis on ATR protein kinase inhibitors using CoMFA and CoMSIAXiurong Li, Mao Shu, Yuanqiang Wang, et al.Current Computer-Aided Drug Design|April 10, 2020
In Silico Discovery of Novel Flavonoids as Poly ADP Ribose Polymerase (PARP) InhibitorsAshish Shah, Ghanshyam Parmar, Avinash Kumar SethCurrent Computer-Aided Drug Design|October 27, 2019
The Benefit of Passion Fruit as an Anti-ulcerogenic Diet: Scientific Evidence by In vitro and In silico H+/K+ATPase Inhibitory Activity AssessmentVineeth A Kumar, Mridula Ramkumar, S K KanthlalCurrent Computer-Aided Drug Design|June 16, 2020
Synthesis, admetSAR Predictions, DPPH Radical Scavenging Activity, and Potent Anti-mycobacterial Studies of Hydrazones of Substituted 4-(anilino methyl) benzohydrazides (Part 2)Vijay J Desale, Suraj N Mali, Bapu R Thorat, et al.Current Computer-Aided Drug Design|September 12, 2022
Computational Evidence Based Perspective on the Plausible Repositioning of Fluoroquinolones for COVID-19 TreatmentVikas YadavCurrent Computer-Aided Drug Design|September 16, 2022
Molecular Insights on Bioactive Compounds against Covid-19: A Network Pharmacological and Computational StudyJayanth Jeevanandam, Esackimuthu Paramasivam, Anbumathi Palanisamy, et al.Current Computer-Aided Drug Design|August 31, 2022
MDO: A Computational Protocol for Prediction of Flexible Enzyme-Ligand Binding ModeAmar Y Al-Ansi, Zijing LinCurrent Computer-Aided Drug Design|May 4, 2011
Partially ordered sets: ranking and prediction of substances' propertiesGuillermo Restrepo, Rainer Brüggemann, Douglas J KleinPageof 82