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Clinical Gastroenterology and Hepatology : the Official Clinical Practice Journal of the American Gastroenterological Association|November 25, 2018
Differences in Outcomes Reported by Patients With Inflammatory Bowel Diseases vs Their Health Care ProfessionalsValérie E H Pittet, Michel H Maillard, Thomas Simonson, et al.Journal of the American Chemical Society|May 29, 2003
Symmetry and bonding in metalloporphyrins. A modern implementation for the bonding analyses of five- and six-coordinate high-spin iron(III)-porphyrin complexes through density functional calculation and NMR spectroscopyRu-Jen Cheng, Ping-Yu Chen, Timothy Lovell, et al.Journal of the American Chemical Society|July 17, 2019
High-Resolution ENDOR Spectroscopy Combined with Quantum Chemical Calculations Reveals the Structure of Nitrogenase Janus Intermediate E4(4H)Veronika Hoeke, Laura Tociu, David A Case, et al.Journal of Computer-Aided Molecular Design|August 3, 2016
The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEPYuan Hu, Brad Sherborne, Tai-Sung Lee, et al.Journal of Computational Chemistry|December 4, 2003
Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structuresMichael Feig, Alexey Onufriev, Michael S Lee, et al.The Journal of Physical Chemistry. A|May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics packageGustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.Inorganic Chemistry|October 29, 2002
Metal substitution in the active site of nitrogenase MFe(7)S(9) (M = Mo(4+), V(3+), Fe(3+))Timothy Lovell, Rhonda A Torres, Wen-Ge Han, et al.Chemmedchem|September 13, 2007
Homology modeling of NR2B modulatory domain of NMDA receptor and analysis of ifenprodil bindingLuciana Marinelli, Sandro Cosconati, Thomas Steinbrecher, et al.Proteins|August 10, 2021
Molecular dynamics analysis of a flexible loop at the binding interface of the SARS-CoV-2 spike protein receptor-binding domainJonathan K Williams, Baifan Wang, Andrew Sam, et al.Journal of Biomolecular NMR|May 5, 2020
Deleterious effects of carbon-carbon dipolar coupling on RNA NMR dynamicsHyeyeon Nam, Owen Becette, Regan M LeBlanc, et al.Pageof 39