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Journal of Molecular Graphics & Modelling|February 23, 2002
Protein-ligand recognition using spherical harmonic molecular surfaces: towards a fast and efficient filter for large virtual throughput screeningWensheng Cai, Xueguang Shao, Bernard MaigretJournal of Molecular Graphics & Modelling|March 28, 2006
Prediction of h5-HT2A receptor antagonistic activity of arylindoles: computational approach using topochemical descriptorsHarish Dureja, Anil K MadanJournal of Molecular Graphics & Modelling|January 25, 2006
Structure and adsorption of a basic probe molecule on H-ZSM-5 nanostructured zeolite: an embedded ONIOM studyJarun Lomratsiri, Michael Probst, Jumras LimtrakulJournal of Molecular Graphics & Modelling|December 22, 2007
Molecular docking/dynamics studies of Aurora A kinase inhibitorsTanaji T Talele, Mark L McLaughlinJournal of Molecular Graphics & Modelling|May 20, 2008
Modeling the binding modes of Kv1.5 potassium channel and blockersQian Yang, Lupei Du, Xiaojian Wang, et al.Journal of Molecular Graphics & Modelling|May 20, 2008
Development and initial testing of an empirical forcefield for simulation of poly(alkylthiophenes)Alik S Widge, Yoky Matsuoka, Maria KurnikovaJournal of Molecular Graphics & Modelling|May 24, 2008
The structure of human serotonin 2c G-protein-coupled receptor bound to agonists and antagonistsJenelle K Bray, William A GoddardJournal of Molecular Graphics & Modelling|January 23, 2025
On topological characterizations and computational analysis of benzenoid networks for drug discovery and developmentPradeepa A, Arathi PJournal of Molecular Graphics & Modelling|January 29, 2025
Exploring the effect of Zr/B ratio on the stability and reactivity of activated ε-caprolactone complexes: A DFT, QTAIM and NCI studyWijitra Meelua, Tanchanok Wanjai, Jitrayut JitonnomJournal of Molecular Graphics & Modelling|January 25, 2025
Leveraging molecular dynamics, physicochemical, and structural analysis to explore OMP33-36 protein as a drug target in Acinetobacter baumannii: An approach against nosocomial infectionSukriti Singh, Jyotsna Agarwal, Anupam Das, et al.Pageof 408