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Methods in Enzymology|February 21, 2013
OSPREY: protein design with ensembles, flexibility, and provable algorithmsPablo Gainza, Kyle E Roberts, Ivelin Georgiev, et al.
Proteins|September 5, 2009
The other 90% of the protein: assessment beyond the Calphas for CASP8 template-based and high-accuracy modelsDaniel A Keedy, Christopher J Williams, Jeffrey J Headd, et al.
Journal of Molecular Biology|February 9, 2016
CryptoSite: Expanding the Druggable Proteome by Characterization and Prediction of Cryptic Binding SitesPeter Cimermancic, Patrick Weinkam, T Justin Rettenmaier, et al.
Elife|March 7, 2023
Room-temperature crystallography reveals altered binding of small-molecule fragments to PTP1BTamar Skaist Mehlman, Justin T Biel, Syeda Maryam Azeem, et al.
Journal of Medicinal Chemistry|November 21, 2018
qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density MapsGydo C P van Zundert, Brandi M Hudson, Saulo H P de Oliveira, et al.
Biorxiv : the Preprint Server for Biology|August 16, 2024
Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapyAliki Perdikari, Virgil A Woods, Ali Ebrahim, et al.
The Journal of Biological Chemistry|October 24, 2025
Structures of human protein tyrosine phosphatase variants reveal targetable allosteric sitesAliki Perdikari, Virgil A Woods, Ali Ebrahim, et al.
ACS Omega|February 17, 2025
Fragment Screening Identifies Novel Allosteric Binders and Binding Sites in the VHR (<i>DUSP3</i>) PhosphataseJiaqian Wu, Marek R Baranowski, Alexander E Aleshin, et al.
Living Journal of Computational Molecular Science|January 23, 2026
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]Chapin E Cavender, David A Case, Julian C-H Chen, et al.
Arxiv|April 8, 2025
Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v0.1]Chapin E Cavender, David A Case, Julian C-H Chen, et al.
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