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Journal of Computer-Aided Molecular Design|April 10, 2020
Resveratrol as a nontoxic excipient stabilizes insulin in a bioactive hexameric formBani Kumar Pathak, Debajyoti Das, Sayan Bhakta, et al.Journal of Computer-Aided Molecular Design|October 23, 2019
BRADSHAW: a system for automated molecular designDarren V S Green, Stephen Pickett, Chris Luscombe, et al.Journal of Computer-Aided Molecular Design|October 21, 2019
Discovery of a nanomolar inhibitor of the human glyoxalase-I enzyme using structure-based poly-pharmacophore modelling and molecular dockingNizar A Al-Shar'i, Qosay A Al-Balas, Rand A Al-Waqfi, et al.Journal of Computer-Aided Molecular Design|February 16, 2023
pH-dependent solubility prediction for optimized drug absorption and compound uptake by plantsAnne Bonin, Floriane Montanari, Sebastian Niederführ, et al.Journal of Computer-Aided Molecular Design|March 15, 2023
Structural mechanism of Fab domain dissociation as a measure of interface stabilityNancy D Pomarici, Franz Waibl, Patrick K Quoika, et al.Journal of Computer-Aided Molecular Design|November 17, 2022
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host-guest binding: II. regression and dielectric constantXiao Liu, Lei Zheng, Yalong Cong, et al.Journal of Computer-Aided Molecular Design|May 7, 1998
Ligand binding affinity prediction by linear interaction energy methodsT Hansson, J Marelius, J AqvistJournal of Computer-Aided Molecular Design|February 12, 2010
Consensus model for identification of novel PI3K inhibitors in large chemical libraryChin Yee Liew, Xiao Hua Ma, Chun Wei YapJournal of Computer-Aided Molecular Design|February 12, 2010
Screening of benzamidine-based thrombin inhibitors via a linear interaction energy in continuum electrostatics modelOrazio Nicolotti, Ilenia Giangreco, Teresa Fabiola Miscioscia, et al.Journal of Computer-Aided Molecular Design|May 29, 2014
New insight in the structural features of haloadaptation in α-amylases from halophilic Archaea following homology modeling strategy: folded and stable conformation maintained through low hydrophobicity and highly negative charged surfaceMohamed Amine Zorgani, Kevin Patron, Mickaël DesvauxPageof 264