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IEEE Computer Graphics and Applications|January 23, 2019
CellPAINT: Interactive Illustration of Dynamic Mesoscale Cellular EnvironmentsAdam Gardner, Ludovic Autin, Brett Barbaro, et al.Nature Communications|October 23, 2025
Structure-guided discovery of Otopetrin 1 inhibitors reveals druggable binding sites at the intrasubunit interfaceBatuujin Burendei, Joshua P Kaplan, Gerardo M Orellana, et al.Proteins|June 19, 2009
Molecular dynamics simulations and functional characterization of the interactions of the PAR2 ectodomain with factor VIIaQing Zhang, Helle H Petersen, Henrik Ostergaard, et al.The Journal of Organic Chemistry|May 4, 2011
N-linked peptidoresorc[4]arene-based receptors as noncompetitive inhibitors for α-chymotrypsinIlaria D'Acquarica, Antonella Cerreto, Giuliano Delle Monache, et al.Nature Chemistry|November 24, 2017
Global profiling of lysine reactivity and ligandability in the human proteomeStephan M Hacker, Keriann M Backus, Michael R Lazear, et al.Journal of Medicinal Chemistry|May 26, 2006
A combination of docking/dynamics simulations and pharmacophoric modeling to discover new dual c-Src/Abl kinase inhibitorsFabrizio Manetti, Giada A Locatelli, Giovanni Maga, et al.Journal of Computer-Aided Molecular Design|November 7, 2019
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPUDiogo Santos-Martins, Jerome Eberhardt, Giulia Bianco, et al.Analytical Chemistry|August 7, 2025
Sulfoxide-diazirine (SODA) as a Cleavable Photoaffinity Group To Enable the Identification of Photolabeled Modification Sites via LC-MS3Suyuan Chen, Michel F Sanner, Denise-Liu Gracias Leone, et al.Biochemistry|September 10, 2003
Selective attenuation of the extrinsic limb of the tissue factor-driven coagulation protease cascade by occupancy of a novel peptidyl docking site on tissue factorHaining Huang, Brian V Norledge, Cheng Liu, et al.Journal of Medicinal Chemistry|December 24, 2004
Virtual screening of human 5-aminoimidazole-4-carboxamide ribonucleotide transformylase against the NCI diversity set by use of AutoDock to identify novel nonfolate inhibitorsChenglong Li, Lan Xu, Dennis W Wolan, et al.Pageof 18