Results 91 to 100 of about 1,041,210 (312)

Binding affinity analysis of the interaction between Homer EVH domain and ryanodine receptor with biosensors based on imaging ellipsometry [PDF]

, 2016
The interaction between the Homer EVH domain and RyR plays an important role in calcium signaling channels in the heart and the skeletal muscles. A biosensor based on imaging ellipsometry was used to analyze the binding affinity between the Homer EVH ...
Jin, G (reprint author), Chinese Acad Sci, Beijing Key Lab Engn Construct & Mechanobiol, Inst Mech, 15 Bei Si Huan West Rd, Beijing 100190, Peoples R China., 牛宇, Zhang KM, 康腾飞, 靳刚, Jin, G (reprint author), Chinese Acad Sci, Inst Mech, NML, 15 Bei Si Huan West Rd, Beijing 100190, Peoples R China., Yin CC, Niu, Y   +7 more
core   +1 more source

Novichok Nerve Agents as Inhibitors of Acetylcholinesterase—In Silico Study of Their Non-Covalent Binding Affinity

Molecules
In silico studies were performed to assess the binding affinity of selected organophosphorus compounds toward the acetylcholinesterase enzyme (AChE). Quantum mechanical calculations, molecular docking, and molecular dynamics (MD) with molecular mechanics
Rafal Madaj, Bartłomiej Gostyński, Arkadiusz Chworos, Marek Cypryk   +3 more
doaj   +1 more source

Identification of a Shiga toxin A‐derived peptide internalized into Gb3 receptor‐bearing cells via interaction with the Shiga toxin B subunit

FEBS Letters, EarlyView.
The process of internalization of the Shiga toxin A subunit via formation of a complex with the Shiga toxin B subunit, which specifically binds to the Gb3 receptor. The peptide is designed to act as a carrier of drugs into cancer cells. Here, we explored the potential of peptides derived from the catalytic A subunit of Shiga toxin (STxA) to be drug ...
Giulia Opassi, João C. Encarnação, Valeria Napolitano, Grzegorz Dubin, Grzegorz Popowicz, Karl Andersson, U. Helena Danielson   +6 more
wiley   +1 more source

Binding Affinity Prediction with 3D Machine Learning: Training Data and Challenging External Testing [PDF]

Protein-ligand binding affinity prediction is one of the major challenges in computational assisted drug discovery. An active area of research uses machine learning (ML) models trained on 3D structures of protein ligand complexes to predict binding modes,
Gary , Tresadern, Lili, Cao, Jose Carlos, Gómez-Tamayo, Mazen, Ahmad   +3 more
core   +1 more source

Learning from the Ligand: Using Ligand-Based Features to Improve Binding Affinity Prediction [PDF]

, 2019
Machine learning scoring functions for protein-ligand binding affinity prediction have been found to consistently outperform classical scoring functions.
Fergus, Boyles, Charlotte M, Deane, Garrett, Morris   +2 more
core   +1 more source

A Comparative Study on the Interaction of Sulfonamide and Nanosulfonamide with Human Serum Albumin

Journal of Chemistry, 2013
Binding parameters of the N-phenyl benzene sulfonyl hydrazide, sulfonamide, and nanosulfonamide interaction with human serum albumin were determined by calorimetry method.
G. Rezaei Behbehani, Moayed Hossaini Sadr, H. Nabipur, L. Barzegar   +3 more
doaj   +1 more source

Investigating transcription factor dynamics in health and disease using FRAP

FEBS Letters, EarlyView.
FRAP analysis of GFP‐tagged transcription factors reveals how molecular mobility and target engagement change in response to drug treatment. By combining live‐cell imaging, quantitative model fitting, and statistical analysis, this approach uncovers transcription factor dynamics linked to disease mechanisms, providing a powerful framework for ...
Kannan Govindaraj, Carolina Vazquez Garzon, Jose Joaquin Velasco, Janine N. Post   +3 more
wiley   +1 more source

MVSF-AB: Accurate antibody-antigen binding affinity prediction via multi-view sequence feature learning [PDF]

Motivation Predicting the binding affinity between antigens and antibodies accurately is crucial for assessing therapeutic antibody effectiveness and enhancing antibody engineering and vaccine design. Traditional machine learning methods have been widely
Wan, Wei, Lan, Xiaoli, Hu, Shengqing, Li, Jizhou, Hu, Shengshan, Pan, Shirui, Guo, Peijin, Shi, Yao, Li, Minghui, Zhang, Leo Yu, Sun, Lichao   +10 more
core   +1 more source

Interaction of human heat shock protein 70 with tumor-associated peptides [PDF]

, 2009
Molecular chaperones of the heat shock protein 70 (Hsp70) family play a crucial role in the presentation of exogenous antigenic peptides by antigen-presenting cells (APCs).
Manzenrieder, Florian, Elfriede Noessner, Noessner, Elfriede, Bendz, H., Buchner, J., Bendz, Henriette, Johannes Buchner, Nößner, E., Issels, Rolf D., Florian Manzenrieder, Kessler, H., Rolf D. Issels, Pandya, M.J., Manzenrieder, F., Issels, R.D., Kessler, Horst, Pandya, Maya J., Henriette Bendz, Maya J. Pandya, Buchner, Johannes, Horst Kessler   +20 more
core   +1 more source

Conserved binding mode but diverse interfaces of MreC‐PBP2 interactions

FEBS Letters, EarlyView.
The crystal structure of abMreC reveals a conserved two β‐barrel architecture and provides structural insights into its role within the bacterial elongasome. The abMreC–abPBP2 complex model identifies the molecular basis of MreC‐mediated PBP2 recognition, contributing to the regulation of peptidoglycan synthesis.
Hyunseok Jang, Hyo Been Jin, Chang Min Kim, So Yeon Lee, Hyun Ho Park   +4 more
wiley   +1 more source