Results 11 to 20 of about 10,846,120 (403)
Protein-protein binding supersites.
PLoS Computational Biology, 2019 The lack of a deep understanding of how proteins interact remains an important roadblock in advancing efforts to identify binding partners and uncover the corresponding regulatory mechanisms of the functions they mediate.
Raji Viswanathan +4 more
doaj +5 more sources
Conformational selection in protein binding and function [PDF]
Protein Science, 2014 Protein binding and function often involves conformational changes. Advanced NMR experiments indicate that these conformational changes can occur in the absence of ligand molecules (or with bound ligands), and that the ligands may 'select' protein ...
Paul, Fabian, Weikl, Thomas R.
core +2 more sources
Generating 3D Molecules for Target Protein Binding [PDF]
International Conference on Machine Learning, 2022 A fundamental problem in drug discovery is to design molecules that bind to specific proteins. To tackle this problem using machine learning methods, here we propose a novel and effective framework, known as GraphBP, to generate 3D molecules that bind to
Meng Liu +4 more
semanticscholar +1 more source
Molecules, 2022 Carbon dots (CDs) are carbon-based zero-dimensional nanomaterials that can be prepared from a number of organic precursors. In this research, they are prepared using fat-free UHT cow milk through the hydrothermal method.
Hasan Shabbir +11 more
doaj +1 more source
Design of protein-binding proteins from the target structure alone
Nature, 2022 The design of proteins that bind to a specific site on the surface of a target protein using no information other than the three-dimensional structure of the target remains a challenge1–5.
Longxing Cao +34 more
semanticscholar +1 more source
Deep geometric representations for modeling effects of mutations on protein-protein binding affinity [PDF]
PLoS Comput. Biol., 2020 Modeling the impact of amino acid mutations on protein-protein interaction plays a crucial role in protein engineering and drug design. In this study, we develop GeoPPI, a novel structure-based deep-learning framework to predict the change of binding ...
Xianggen Liu +3 more
semanticscholar +1 more source
Cells, 2023 Drug penetration through biological barriers is an important aspect of pharmacokinetics. Although the structure of the blood-brain and blood-milk barriers is different, a connection can be found in the literature between drugs entering the central ...
Wanat Karolina +2 more
doaj +1 more source
Molecules, 2021 8-Anilino-1-naphthalenesulfonic acid (ANS) is used as a hydrophobic fluorescence probe due to its high intensity in hydrophobic environments, and also as a microenvironment probe because of its unique ability to exhibit peak shift and intensity change ...
Chikashi Ota +2 more
doaj +1 more source
Molecules, 2022 Protein binding (PB) is indicated as the factor most severely limiting distribution in the organism, reducing the bioavailability of the drug, but also minimizing the penetration of xenobiotics into the fetus or the body of a breastfed child.
Karolina Wanat, Elżbieta Brzezińska
doaj +1 more source
Dendritic amphiphilic siRNA: Selective albumin binding, in vivo efficacy, and low toxicity
Molecular Therapy: Nucleic Acids, 2023 Although an increasing number of small interfering RNA (siRNA) therapies are reaching the market, the challenge of efficient extra-hepatic delivery continues to limit their full therapeutic potential. Drug delivery vehicles and hydrophobic conjugates are
Hassan H. Fakih +11 more
doaj +1 more source