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Journal of Molecular Biology|April 23, 2003
Modeling of flap endonuclease interactions with DNA substrateHatim T Allawi, Michael W Kaiser, Alexey V Onufriev, et al.Journal of Computational Chemistry|October 4, 2005
The Amber biomolecular simulation programsDavid A Case, Thomas E Cheatham, Tom Darden, et al.Journal of Molecular Biology|January 13, 2006
Induced fit and "lock and key" recognition of 5S RNA by zinc fingers of transcription factor IIIABrian M Lee, Jing Xu, Bryan K Clarkson, et al.European Journal of Medicinal Chemistry|June 10, 2023
Structure-based virtual screening discovers potent and selective adenosine A1 receptor antagonistsPierre Matricon, Anh Tn Nguyen, Duc Duy Vo, et al.Angewandte Chemie (International Ed. in English)|April 27, 2021
Structure-Guided Design of G-Protein-Coupled Receptor PolypharmacologyStefanie Kampen, Duc Duy Vo, Xiaoqun Zhang, et al.The Journal of Biological Chemistry|August 14, 2019
Molecular underpinnings of integrin binding to collagen-mimetic peptides containing vascular Ehlers-Danlos syndrome-associated substitutionsCody L Hoop, Allysa P Kemraj, Baifan Wang, et al.Physical Chemistry Chemical Physics : PCCP|March 27, 2018
Determination of accurate backbone chemical shift tensors in microcrystalline proteins by integrating MAS NMR and QM/MMMatthew Fritz, Caitlin M Quinn, Mingzhang Wang, et al.Biochemical and Biophysical Research Communications|August 26, 2014
Preferential activation by galanin 1-15 fragment of the GalR1 protomer of a GalR1-GalR2 heteroreceptor complexDasiel O Borroto-Escuela, Manuel Narvaez, Michael Di Palma, et al.Inorganic Chemistry|November 22, 2007
Testing if the interstitial atom, X, of the nitrogenase molybdenum-iron cofactor is N or C: ENDOR, ESEEM, and DFT studies of the S = 3/2 resting state in multiple environmentsDmitriy Lukoyanov, Vladimir Pelmenschikov, Nathan Maeser, et al.Scientific Reports|July 27, 2017
Fragment optimization for GPCRs by molecular dynamics free energy calculations: Probing druggable subpockets of the A 2A adenosine receptor binding sitePierre Matricon, Anirudh Ranganathan, Eugene Warnick, et al.Pageof 39