Investigations on the binding specificity of β-galactoside analogues with human galectin-1 using molecular dynamics simulations.

Autor: Jino Blessy, J., Siva Shanmugam, N. R., Veluraja, K., Michael Gromiha, M.

Publikováno v: Journal of Biomolecular Structure & Dynamics; 2022, Vol. 40 Issue 20, p10094-10105, 12p

PCA-MutPred: Prediction of Binding Free Energy Change Upon Missense Mutation in Protein-carbohydrate Complexes.

Autor: Siva Shanmugam NR; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India., Veluraja K; PSN College of Engineering and Technology, Melathediyoor, Tirunelveli, Tamil Nadu, India., Michael Gromiha M; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India. Electronic address: gromiha@iitm.ac.in.

Publikováno v: Journal of molecular biology [J Mol Biol] 2022 Jun 15; Vol. 434 (11), pp. 167526. Date of Electronic Publication: 2022 Mar 05.

ProCaff: protein-carbohydrate complex binding affinity database.

Autor: Siva Shanmugam NR; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India., Jino Blessy J; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India., Veluraja K; School of Advanced Sciences, Vellore Institute of Technology, Vellore, Tamil Nadu, India., Michael Gromiha M; Department of Biotechnology, Bhupat and Jyoti Mehta School of Biosciences, Indian Institute of Technology Madras, Chennai 600036, India.

Publikováno v: Bioinformatics (Oxford, England) [Bioinformatics] 2020 Jun 01; Vol. 36 (11), pp. 3615-3617.