Development of multi epitope subunit vaccines against emerging carp viruses Cyprinid herpesvirus 1 and 3 using immunoinformatics approach

NA Rani, TB Robin, AA Prome, N Ahmed, AT Moin… - Scientific Reports, 2024 - nature.com
Cyprinid herpesvirus is a causative agent of a destructive disease in common and koi carp
(Cyprinus carpio), which leads to substantial global financial losses in aquaculture …

Dynamics-evolution correspondence in protein structures

QY Tang, K Kaneko - Physical review letters, 2021 - APS
The genotype-phenotype map** of proteins is a fundamental question in structural
biology. In this Letter, with the analysis of a large dataset of proteins from hundreds of …

Immunoinformatics approach to design novel subunit vaccine against the Epstein-Barr virus

AT Moin, RB Patil, T Tabassum, Y Araf… - Microbiology …, 2022 - Am Soc Microbiol
Epstein-Barr virus (EBV) is a lymphotropic virus responsible for numerous epithelial and
lymphoid cell malignancies, including gastric carcinoma, Hodgkin's lymphoma …

[HTML][HTML] Extending the horizon of homology detection with coevolution-based structure prediction

L Sanchez-Pulido, CP Ponting - Journal of Molecular Biology, 2021 - Elsevier
Traditional sequence analysis algorithms fail to identify distant homologies when they lie
beyond a detection horizon. In this review, we discuss how co-evolution-based contact and …

[HTML][HTML] ProteinReDiff: Complex-based ligand-binding proteins redesign by equivariant diffusion-based generative models

VTD Nguyen, ND Nguyen, TS Hy - Structural Dynamics, 2024 - pubs.aip.org
Proteins, serving as the fundamental architects of biological processes, interact with ligands
to perform a myriad of functions essential for life. Designing functional ligand-binding …

An immunoinformatics and extended molecular dynamics approach for designing a polyvalent vaccine against multiple strains of Human T-lymphotropic virus (HTLV)

AT Moin, NA Rani, MA Ullah, RB Patil, TB Robin… - Plos one, 2023 - journals.plos.org
Human T-lymphotropic virus (HTLV), a group of retroviruses belonging to the oncovirus
family, has long been associated with various inflammatory and immunosuppressive …

Molecular Dynamic Studies of Dye–Dye and Dye–DNA Interactions Governing Excitonic Coupling in Squaraine Aggregates Templated by DNA Holliday Junctions

G Barcenas, A Biaggne, OA Mass… - International Journal of …, 2023 - mdpi.com
Dye molecules, arranged in an aggregate, can display excitonic delocalization. The use of
DNA scaffolding to control aggregate configurations and delocalization is of research …

Exploring the alternative conformation of a known protein structure based on contact map prediction

J Li, L Wang, Z Zhu, C Song - Journal of Chemical Information and …, 2023 - ACS Publications
The rapid development of deep learning-based methods has considerably advanced the
field of protein structure prediction. The accuracy of predicting the 3D structures of simple …

Structural and functional effects of the L84S mutant in the SARS-COV-2 ORF8 dimer based on microsecond molecular dynamics study

S Islam, MR Parves, MJ Islam, MA Ali… - Journal of …, 2024 - Taylor & Francis
The L84S mutation has been observed frequently in the ORF8 protein of SARS-CoV-2,
which is an accessory protein involved in various important functions such as virus …

Muscle-3D: scalable multiple protein structure alignment

RC Edgar, I Tolstoy - bioRxiv, 2024 - biorxiv.org
Protein multiple alignment is an essential step in many bioinformatics analysis such as
phylogenetic tree estimation, HMM construction and critical residue identification. Structure …