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Current Computer-Aided Drug Design|May 31, 2017
Pharmacophore Modelling and 4D-QSAR Study of Ruthenium(II) Arene Complexes as Anticancer Agents (Inhibitors) by Electron Conformational- Genetic Algorithm MethodSevtap Caglar Yavuz, Nazmiye Sabanci, Emin SaripinarCurrent Computer-Aided Drug Design|June 10, 2017
A Comparative Study on Selective PPAR Modulators through Quantitative Structure-activity Relationship, Pharmacophore and Docking AnalysesAshis Nandy, Kunal Roy, Achintya SahaCurrent Computer-Aided Drug Design|May 3, 2017
Insight Mechanism of the Selective Lanosterol Synthase Inhibitor: Molecular Modeling, Docking and Density Functional Theory ApproachesSubramanian Karunagaran, Rengarajan Kavitha, Muthu Vadivelu, et al.Current Computer-Aided Drug Design|September 17, 2016
Computational Analysis of Physicochemical Factors Driving CYP2D6 Ligand InteractionOlujide O Olubiyi, Maryam O Olagunju, Abiola O ObisesanCurrent Computer-Aided Drug Design|September 8, 2016
Exploring Intrinsic Dimensionality of Chemical Spaces for Robust QSAR Model Development: A Comparison of Several Statistical ApproachesSubhabrata Majumdar, Subhash C BasakCurrent Computer-Aided Drug Design|March 11, 2015
Molecular factors influencing the affinity of flavonoid compounds on P-glycoprotein efflux transporterRodolfo N Vázquez, Alejandra B Camargo, Eduardo J Marchevsky, et al.Current Computer-Aided Drug Design|March 11, 2015
Prediction of thrombin and factor xa inhibitory activity with associative neural networksVasyl Kovalishyn, Vsevolod Tanchuk, Iryna Kopernyk, et al.Current Computer-Aided Drug Design|April 17, 2023
Screening of Inhibitors against Idiopathic Pulmonary Fibrosis: Few-shot Machine Learning and Molecule Docking based Drug RepurposingJun Chang, Shaoqing Zou, Subo Xu, et al.Current Computer-Aided Drug Design|April 8, 2015
3D Modeling of dengue virus NS4B and Chikungunya virus nsP4: identification of a common drug target and designing a single antiviral inhibitorGarisekurthi Satheesh, Nagu P Prabhu, Musturi VenkataramanaCurrent Computer-Aided Drug Design|May 3, 2023
A Computational Investigation on Chitosan Derivatives using Pharmacophore- based Screening, Molecular Docking, and Molecular Dynamics Simulations against Kaposi SarcomaKiruba Sakthivel, Priyanka Ganapathy, Kirubhanand Chandrasekaran, et al.Pageof 82