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Journal of Molecular Graphics & Modelling|May 29, 2026
Benchmark of DFT methods and QTAIM analysis of acetone clusters: Structure, stability and non-covalent interactionsJuda Baikété, Alhadji Malloum, Jeanet Conradie
Journal of Molecular Graphics & Modelling|May 21, 2026
GLP-1R R131Q links long-range conformational remodeling to cellular stress phenotypesTakashi Kato, Noriko Inomata, Keiko Serizawa, et al.
Journal of Molecular Graphics & Modelling|May 18, 2026
Equilibrium and non-equilibrium thermodynamics in drug repurposing: Machine learning-guided discovery of high-affinity WEE1 kinase inhibitorsStalin Arulsamy, Tathagata Chanda, Wajid Aslam Khan, et al.
Journal of Molecular Graphics & Modelling|February 8, 2018
Molecular design of high performance zwitterionic liquids for enhanced heavy-oil recovery processesJ M Martínez-Magadán, A R Cartas-Rosado, R Oviedo-Roa, et al.
Journal of Molecular Graphics & Modelling|August 28, 2004
Use of binding energy in comparative molecular field analysis of isoform selective estrogen receptor ligandsPeter Wolohan, David E Reichert
Journal of Molecular Graphics & Modelling|October 6, 2000
An algorithm for predicting the NMR shielding of protons over substituted benzene ringsN H Martin, N W Allen, J C Moore
Journal of Molecular Graphics & Modelling|May 26, 2026
Integrated multi-stage screening assisted discovery and optimization of spirooxindole MDM2 inhibitorsXuchen Xu, Kexin Cheng, Zigui Kan
Journal of Molecular Graphics & Modelling|May 7, 2026
Glycation induced active site disruption of Biliverdin IXβ reductase: A molecular dynamics approachJayanth Jeevanandam, P Esackimuthu, K Bhuvana, et al.
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