Journal of Chemical Information and Modeling

Edit Your Profile

Journal of Chemical Information and Modeling Journal

publication venue for

Mapping the Interactions Among Class IIa Histone Deacetylases and Myocyte Enhancer Factor 2s. 65:6249-6260. 2025
Simulation-Guided Molecular Modeling of Nisin and Lipid II Assembly and Membrane Pore Formation. 64:7977-7986. 2024
Insights into the DNA and RNA Interactions of Human Topoisomerase III Beta Using Molecular Dynamics Simulations. 64:6062-6071. 2024
Design, Synthesis, and Biological Evaluation of Chroman Derivatives as PD-1/PD-L1 Antagonists. 64:4877-4896. 2024
Molecular Modeling and Simulation of the Peptidoglycan Layer of Gram-Positive Bacteria Staphylococcus aureus. 62:4955-4962. 2022
A 5′-Flanking C/G Pair at the Core Region Enhances the Recognition and Binding of Kaiso to Methylated DNA. 63:2095-2103. 2022
3D-QSAR Modeling and Synthesis of New Fusidic Acid Derivatives as Antiplasmodial Agents. 58:1553-1560. 2018
A Possible Mechanism for Redox Control of Human Neuroglobin Activity. 54:1997-2003. 2014
Conditional probabilistic analysis for prediction of the activity landscape and relative compound activities. 53:2613-2625. 2013
Rapid scanning structure-activity relationships in combinatorial data sets: Identification of activity switches. 53:1475-1485. 2013
Multitarget structure-activity relationships characterized by activity-difference maps and consensus similarity measure. 51:2427-2439. 2011
Chemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries Small Molecule Repository. 49:1010-1024. 2009
Characterization of activity landscapes using 2D and 3D similarity methods: Consensus activity cliffs. 49:477-491. 2009
Explicit Diversity Index (EDI): A novel measure for assessing the diversity of compound databases. 46:1898-1904. 2006

International Standard Serial Number (ISSN)

1549-9596

Electronic International Standard Serial Number (EISSN)

1549-960X