Results 1 to 10 of about 10,004,702 (422)

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, Eduardo Fajardo, Gabriel Steinberg, Matthew Haller, Andras Fiser   +4 more
doaj   +5 more sources

PROTEIN BINDING

British Journal of Anaesthesia, 1969

openalex   +3 more sources

Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor

Nature, 2020
Jun Lan, Jiwan Ge, Jinfang Yu
exaly   +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, Youzhi Luo, Kanji Uchino, Koji Maruhashi, Shuiwang Ji   +4 more
semanticscholar   +1 more source

Receptor binding and priming of the spike protein of SARS-CoV-2 for membrane fusion

Nature, 2020
Steven J Gamblin, Antoni G Wrobel, Donald J Benton   +2 more
exaly   +2 more sources

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, Yunan Luo, Sen Song, Jian Peng   +3 more
semanticscholar   +1 more source

Computational Approach to Drug Penetration across the Blood-Brain and Blood-Milk Barrier Using Chromatographic Descriptors

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, Rojek Agata, Brzezińska Elżbieta   +2 more
doaj   +1 more source

Milk-Derived Carbon Quantum Dots: Study of Biological and Chemical Properties Provides Evidence of Toxicity

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, Konrad Wojtaszek, Bogdan Rutkowski, Edit Csapó, Marek Bednarski, Anita Adamiec, Monika Głuch-Lutwin, Barbara Mordyl, Julia Druciarek, Magdalena Kotańska, Piotr Ozga, Marek Wojnicki   +11 more
doaj   +1 more source

Revisiting the Rate-Limiting Step of the ANS–Protein Binding at the Protein Surface and Inside the Hydrophobic Cavity

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, Shun-ichi Tanaka, Kazufumi Takano   +2 more
doaj   +1 more source

Investigating the side-chain structural organization behind the stability of protein folding and binding [PDF]

Sci Rep 12, 12087 (2022), 2021
What are the molecular mechanisms that dictate protein-protein binding stability and whether those are related to the ones behind protein fold stability are still largely open questions. Indeed, despite many past efforts, we still lack definitive models to account for experimental quantities like protein melting temperature or complex binding affinity.
arxiv   +1 more source