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Current Computer-Aided Drug Design|October 18, 2011
QSAR studies on HIV-1 protease inhibitors using non-linearly transformed descriptorsNallusamy Saranya, Samuel SelvarajCurrent Computer-Aided Drug Design|October 18, 2011
Development of anti-HIV activity models of lysine sulfonamide analogs: a QSAR perspectiveRajagopalan Muthukumaran, Balasubramanian Sangeetha, Ramaswamy Amutha, et al.Current Computer-Aided Drug Design|April 7, 2022
Mechanisms of Compound Sophora flavescens (Kushen) Decoction for the Treatment of Ulcerative Colitis based on Network Pharmacology and Molecular Docking TechnologyZijing Peng, Zhuoling Zheng, Min Gao, et al.Current Computer-Aided Drug Design|April 5, 2022
In silico and in vitro Estimation of Structure and Biological Affinity of 1,3- Oxazoles: Fragment-to-fragment ApproachNataliya V Obernikhina, Olexandr L Kobzar, Marina V Kachaeva, et al.Current Computer-Aided Drug Design|July 4, 2019
Computational Prospecting for the Pharmacological Mechanism of Activity: HIV-1 Inhibition by Ixoratannin A-2Olujide O Olubiyi, Thomas O Idowu, Abiodun O Ogundaini, et al.Current Computer-Aided Drug Design|January 11, 2023
Identification of Small Inhibitors for Human Metadherin, an Oncoprotein, through in silico ApproachArif Ali Khattak, Ayaz Ahmad, Haider Ali Khattak, et al.Current Computer-Aided Drug Design|January 13, 2023
A Comparative Analytical Review on Machine Learning Methods in Drugtarget Interactions PredictionZahra Nikraftar, Mohammad Reza KeyvanpourCurrent Computer-Aided Drug Design|October 2, 2010
Designing new β-lactams: implications from their targets, resistance factors and synthesizing enzymesKian-Sim Goo, Tiow-Suan SimCurrent Computer-Aided Drug Design|September 3, 2010
Recent advances in ligand-based drug design: relevance and utility of the conformationally sampled pharmacophore approachChayan Acharya, Andrew Coop, James E Polli, et al.Current Computer-Aided Drug Design|April 24, 2010
Conformational flexibility in designing peptides for immunology: the molecular dynamics approachAthanassios StavrakoudisPageof 82