Results 1 to 10 of about 3,018,689 (332)
Predicting Biomolecular Binding Kinetics: A Review. [PDF]
Journal of Chemical Theory and Computation, 2022 Biomolecular binding kinetics including the association (kon) and dissociation (koff) rates are critical parameters for therapeutic design of small-molecule drugs, peptides, and antibodies.
Jinan Wang +3 more
semanticscholar +5 more sources
15 Years of molecular simulation of drug-binding kinetics [PDF]
Expert Opin Drug Discov, 2023 Introduction Drug-binding kinetics has been increasingly recognized as an important factor to be considered in drug discovery. Long residence time could prolong the action of some drugs while produce toxicity on others.
Chung F Wong
semanticscholar +2 more sources
Perspectives on Ligand/Protein Binding Kinetics Simulations: Force Fields, Machine Learning, Sampling, and User-Friendliness [PDF]
J Chem Theory Comput, 2023 Computational techniques applied to drug discovery have gained considerable popularity for their ability to filter potentially active drugs from inactive ones, reducing the time scale and costs of preclinical investigations.
Paolo Conflitti +2 more
semanticscholar +2 more sources
Binding Kinetics Survey of the Drugged Kinome. [PDF]
Journal of the American Chemical Society, 2018 Target residence time is emerging as an important optimization parameter in drug discovery, yet target and off-target engagement dynamics have not been clearly linked to the clinical performance of drugs.
Victoria Georgi +12 more
semanticscholar +3 more sources
Binding kinetics of ligands acting at GPCRs
Molecular and Cellular Endocrinology, 2019 The influence of drug-receptor binding kinetics has often been overlooked during the development of new therapeutics that target G protein-coupled receptors (GPCRs). Over the last decade there has been a growing understanding that an in-depth knowledge of binding kinetics at GPCRs is required to successfully target this class of proteins.
D. Sykes +3 more
semanticscholar +3 more sources
Frontiers in Pharmacology, 2021 We have developed an automated patch-clamp protocol that allows high information content screening of sodium channel inhibitor compounds. We have observed that individual compounds had their specific signature patterns of inhibition, which were ...
Krisztina Pesti +10 more
doaj +1 more source
Two-dimensional measurements of receptor-ligand interactions
Frontiers in Molecular Biosciences, 2023 Gaining insight into the two-dimensional receptor-ligand interactions, which play a significant role in various pivotal biological processes such as immune response and cancer metastasis, will deepen our understanding of numerous physiological and ...
Songjie Zheng +7 more
doaj +1 more source
Journal of Oral Microbiology, 2022 The initial microprocess of a major cariogenic bacterium Streptococcus mutans forming biofilm at a single-cell level via sucrose-dependent adhesion has not been observed because the cells’ high moisture content caused measurement challenges. To develop a
Yuhao Guo +6 more
doaj +1 more source
Neuroglobin Ligand Binding Kinetics [PDF]
IUBMB Life, 2004 AbstractNeuroglobin, cytoglobin, and hemoglobins from Drosophila melanogaster and Arabidopsis thaliana were studied for their ligand binding properties versus temperature. These globins have a common feature of being hexacoordinated (via the distal histidine) under deoxy conditions, displaying an enhanced amplitude for the alpha absorption band at 560 ...
Kiger, Laurent +8 more
openaire +3 more sources
Proceedings of the National Academy of Sciences of the United States of America, 2022 Significance The detection of low-abundance molecular biomarkers is key to the liquid–biopsy-based disease diagnosis. Existing methods are limited by the affinity and specificity of recognition probes and the mass transportation of analyte molecules onto
Qiang Zeng +7 more
semanticscholar +1 more source