Results 21 to 30 of about 3,018,689 (332)

Plasmonic Scattering Imaging of Single Proteins and Binding Kinetics

Nature Methods, 2020
Measuring the binding kinetics of single proteins represents one of the most important and challenging tasks in protein analysis. Here we show that this is possible using a surface plasmon resonance (SPR) scattering technique. SPR is a popular label-free
Pengfei Zhang, Guangzhong Ma, W. Dong, Zijian Wan, Shaopeng Wang, Yuyuan Tian   +5 more
semanticscholar   +1 more source

Predicting Ligand Binding Kinetics Using a Markovian Milestoning with Voronoi Tessellations Multiscale Approach.

Journal of Chemical Theory and Computation, 2020
Accurate and efficient computational predictions of ligand binding kinetics can be useful to inform drug discovery campaigns, particularly in the screening and lead optimization phases.
Benjamin R. Jagger, Anupam Anand Ojha, Rommie E. Amaro   +2 more
semanticscholar   +1 more source

Ranking of Ligand Binding Kinetics Using a Weighted Ensemble Approach and Comparison with a Multiscale Milestoning Approach

Journal of Chemical Information and Modeling, 2020
In order to improve lead optimization efforts in finding the right ligand, pharmaceutical industries need to know the ligand's binding kinetics, such as binding and unbinding rate constants, which often correlate with the ligand's efficacy in vivo.
Surl-Hee Ahn, Benjamin R. Jagger, Rommie E. Amaro   +2 more
semanticscholar   +1 more source

Simultaneous Quantification of Protein Binding Kinetics in Whole Cells with Surface Plasmon Resonance Imaging and Edge Deformation Tracking

Membranes, 2020
Most drugs work by binding to receptors on the cell surface. Quantification of binding kinetics between drug and membrane protein is an essential step in drug discovery.
Wenwen Jing, Ashley Hunt, Nongjian Tao, Fenni Zhang, Shaopeng Wang   +4 more
doaj   +1 more source

Machine learning methods for developments of binding kinetic models in predicting protein‐ligand dissociation rate constants

Smart Molecules, 2023
Binding kinetic properties of protein–ligand complexes are crucial factors affecting the drug potency. Nevertheless, the current in silico techniques are insufficient in providing accurate and robust predictions for binding kinetic properties.
Yujing Zhao, Qilei Liu, Jian Du, Qingwei Meng, Lei Zhang   +4 more
doaj   +1 more source

A Single-Pass Type I Membrane Protein from the Apicomplexan Parasite Cryptosporidium parvum with Nanomolar Binding Affinity to Host Cell Surface

Microorganisms, 2021
Cryptosporidium parvum is a globally recognized zoonotic parasite of medical and veterinary importance. This parasite mainly infects intestinal epithelial cells and causes mild to severe watery diarrhea that could be deadly in patients with weakened or ...
Tianyu Zhang, Xin Gao, Dongqiang Wang, Jixue Zhao, Nan Zhang, Qiushi Li, Guan Zhu, Jigang Yin   +7 more
doaj   +1 more source

Grating-coupled interferometry reveals binding kinetics and affinities of Ni ions to genetically engineered protein layers

Scientific Reports, 2020
Reliable measurement of the binding kinetics of low molecular weight analytes to their targets is still a challenging task. Often, the introduction of labels is simply impossible in such measurements, and the application of label-free methods is the only
H. Jankovics, Boglarka Kovacs, A. Saftics, T. Gerecsei, É. Tóth, I. Székács, F. Vonderviszt, R. Horváth   +7 more
semanticscholar   +1 more source

Kinetic mechanism of coupled binding in sodium-aspartate symporter GltPh

eLife, 2018
Many secondary active membrane transporters pump substrates against concentration gradients by coupling their uptake to symport of sodium ions. Symport requires the substrate and ions to be always transported together.
SeCheol Oh, Olga Boudker
doaj   +1 more source

Understanding the Mechanism of Recognition of Gab2 by the N-SH2 Domain of SHP2

Life, 2020
Gab2 is a scaffold protein with a crucial role in colocalizing signaling proteins and it is involved in the regulation of several important molecular pathways.
Lorenzo Visconti, Francesca Malagrinò, Livia Pagano, Angelo Toto   +3 more
doaj   +1 more source

Ligation tunes protein reactivity in an ancient haemoglobin: kinetic evidence for an allosteric mechanism in Methanosarcina acetivorans protoglobin. [PDF]

PLoS ONE, 2012
Protoglobin from Methanosarcina acetivorans (MaPgb) is a dimeric globin with peculiar structural properties such as a completely buried haem and two orthogonal tunnels connecting the distal cavity to the solvent. CO binding to and dissociation from MaPgb
Stefania Abbruzzetti, Lesley Tilleman, Stefano Bruno, Cristiano Viappiani, Filip Desmet, Sabine Van Doorslaer, Massimo Coletta, Chiara Ciaccio, Paolo Ascenzi, Marco Nardini, Martino Bolognesi, Luc Moens, Sylvia Dewilde   +12 more
doaj   +1 more source