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Comments on “Leave-Cluster-Out Cross-Validation Is Appropriate for Scoring Functions Derived from Diverse Protein Data Sets”: Significance for the Validation of Scoring Functions
Integrating Medicinal Chemistry, Organic/Combinatorial Chemistry, and Computational Chemistry for the Discovery of Selective Estrogen Receptor Modulators with F orecaster , a Novel Platform for Drug Discovery
Anti-estrogenic activity of tris(2,3-dibromopropyl) isocyanurate through disruption of co-activator recruitment: experimental and computational studies
Effect of Trimethoprim Drug Dose on Corrosion Behavior of Stainless Steel in Simulated Human Body Environment: Experimental and Theoretical Investigations
Electrochemical Polymerization of New Schiff Base Monomer as an Anti-corrosion Coating on Carbon Steel in Saline Water: Experimental and Theoretical Studies
Synthesis, characterization, medical activity, and docking prediction of new heterocyclic Azo-Schiff base ligand derived from 2-Amino-5-methyl thiazol and Cr(III), Ni(II), and Cu(II) metal ions
Corrosion inhibition behavior of expired diclofenac Sodium drug for Al 6061 alloy in aqueous media: Electrochemical, morphological, and theoretical investigations
Promising bio-active complexes of platinum(II) and palladium(II) derived from heterocyclic thiourea: Synthesis, characterization, DFT, molecular docking, and anti-cancer studies
From Environmental Toxicants to Antibacterial Agents: BPA Analogues Selectively Inhibit the Growth of Gram-Positive Bacteria by Disturbing Biosynthesis of the Cell Wall
Prediction of the corrosion inhibition efficiency and antibacterial activity of 1,2,4-oxadiazole derivatives using DFT and docking analysis: effect of alkoxy chain length
In silico prediction and in vitro and in vivo validation of acaricide fluazuron as a potential inhibitor of FGFR 3 and a candidate anticancer drug for bladder carcinoma
In silico identification of phytochemical inhibitors for multidrug-resistant tuberculosis based on novel pharmacophore generation and molecular dynamics simulation studies
In Silico Identification and In Vitro and In Vivo Validation of Anti-Psychotic Drug Fluspirilene as a Potential CDK2 Inhibitor and a Candidate Anti-Cancer Drug
Theoretical and experimental studies of copper(II) and nickel(II) complexes derived from the ligand N-benzyl benzimidazole as corrosion inhibitors in ionic and bacterial media
Identification of Clinically Approved Drugs Indacaterol and Canagliflozin for Repurposing to Treat Epidermal Growth Factor Tyrosine Kinase Inhibitor-Resistant Lung Cancer
Integrated WGCNA of lncRNA-mRNA Networks Identifies Novel Hub Genes and Potential Therapeutic Agents for Liver Cirrhosis via Molecular Docking Validation
The antipsychotic agent flupentixol is a new PI3K inhibitor and potential anticancer drug for lung cancer
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