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ACS Omega|March 16, 2026
IRIS: A Machine Learning-Based Pose Reranking Tool for RNA-Ligand DockingJason Andrew Amburn, Shalini J Rukmani, Jerry M Parks, et al.Inorganic Chemistry|January 1, 2014
Mercury methylation by HgcA: theory supports carbanion transfer to Hg(II)Jing Zhou, Demian Riccardi, Ariana Beste, et al.Journal of Computational Chemistry|March 13, 2003
Molecular mechanics force field parameterization of the fluorescent probe rhodamine 6G using automated frequency matchingAndrea C Vaiana, Andreas Schulz, Jürgen Wolfrum, et al.The Journal of Physical Chemistry. B|July 21, 2006
Protein/ligand binding free energies calculated with quantum mechanics/molecular mechanicsFrauke Gräter, Sonja M Schwarzl, Annick Dejaegere, et al.Proceedings of the National Academy of Sciences of the United States of America|May 3, 2005
Structural mechanism of the recovery stroke in the myosin molecular motorStefan Fischer, Björn Windshügel, Daniel Horak, et al.Journal of the American Chemical Society|August 25, 2011
In silico partitioning and transmembrane insertion of hydrophobic peptides under equilibrium conditionsJakob P Ulmschneider, Jeremy C Smith, Stephen H White, et al.Structure (London, England : 1993)|July 10, 2004
Mechanism of primary proton transfer in bacteriorhodopsinAna-Nicoleta Bondar, Marcus Elstner, Sándor Suhai, et al.Proteins|January 20, 2005
Understanding the energetics of helical peptide orientation in membranesDurba Sengupta, Lars Meinhold, Dieter Langosch, et al.The Journal of Physical Chemistry. B|September 9, 2014
Mechanism by which untwisting of retinal leads to productive bacteriorhodopsin photocycle statesTino Wolter, Marcus Elstner, Stefan Fischer, et al.The Journal of Physical Chemistry. A|November 9, 2012
Time-dependent density functional theory assessment of UV absorption of benzoic acid derivativesHao-Bo Guo, Feng He, Baohua Gu, et al.Pageof 34