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Journal of the Optical Society of America. A, Optics, Image Science, and Vision|April 28, 2006
High-resolution ab initio three-dimensional x-ray diffraction microscopyHenry N Chapman, Anton Barty, Stefano Marchesini, et al.
Plos One|September 6, 2014
Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machinesMontiago X LaBute, Xiaohua Zhang, Jason Lenderman, et al.
International Journal of Molecular Sciences|August 21, 2013
Oximes: inhibitors of human recombinant acetylcholinesterase. A structure-activity relationship (SAR) studyVendula Sepsova, Jana Zdarova Karasova, Jan Korabecny, et al.
Physical Review Letters|September 28, 2010
Near-ultraviolet luminescence of N2 irradiated by short X-ray pulsesStefan P Hau-Riege, Richard M Bionta, Dmitri D Ryutov, et al.
Plos One|April 16, 2015
A wrench in the works of human acetylcholinesterase: soman induced conformational changes revealed by molecular dynamics simulationsBrian J Bennion, Sebnem G Essiz, Edmond Y Lau, et al.
Membranes|November 24, 2023
Advances in Computational Approaches for Estimating Passive Permeability in Drug DiscoveryAusten Bernardi, W F Drew Bennett, Stewart He, et al.
Artificial Intelligence Chemistry|August 16, 2023
Evaluating point-prediction uncertainties in neural networks for protein-ligand binding predictionYa Ju Fan, Jonathan E Allen, Kevin S McLoughlin, et al.
Scientific Reports|August 13, 2014
Fixed-target protein serial microcrystallography with an x-ray free electron laserMark S Hunter, Brent Segelke, Marc Messerschmidt, et al.
Nano Letters|December 22, 2007
Single particle X-ray diffractive imagingMichael J Bogan, W Henry Benner, Sébastien Boutet, et al.
Current Medicinal Chemistry|February 23, 2016
Computational Enzymology and Organophosphorus Degrading Enzymes: Promising Approaches Toward Remediation Technologies of Warfare Agents and PesticidesTeodorico C Ramalho, Alexandre A de Castro, Daniela R Silva, et al.
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