VHH Structural Modelling Approaches: A Critical Review

P Vishwakarma, AM Vattekatte, N Shinada… - International Journal of …, 2022 - mdpi.com
VHH, ie, VH domains of camelid single-chain antibodies, are very promising therapeutic
agents due to their significant physicochemical advantages compared to classical …

ATLAS: protein flexibility description from atomistic molecular dynamics simulations

Y Vander Meersche, G Cretin, A Gheeraert… - Nucleic acids …, 2024 - academic.oup.com
Dynamical behaviour is one of the most crucial protein characteristics. Despite the advances
in the field of protein structure resolution and prediction, analysis and prediction of protein …

Discrete analysis of camelid variable domains: Sequences, structures, and in-silico structure prediction

AM Vattekatte, NK Shinada, TJ Narwani, F Noël… - PeerJ, 2020 - peerj.com
Antigen binding by antibodies requires precise orientation of the complementarity-
determining region (CDR) loops in the variable domain to establish the correct contact …

The LILI motif of M3-S2 linkers is a component of the NMDA receptor channel gate

M Ladislav, J Cerny, J Krusek, M Horak… - Frontiers in molecular …, 2018 - frontiersin.org
N-methyl-D-aspartate receptors (NMDARs) mediate excitatory synaptic transmission in the
central nervous system, underlie the induction of synaptic plasticity, and their malfunction is …

Quality assessment of VHH models

AA Nadaradjane, J Diharce, J Rebehmed… - Journal of …, 2023 - Taylor & Francis
Abstract Heavy Chain Only Antibodies are specific to Camelid species. Despite the lack of
the light chain variable domain, their heavy chain variable domain (VH) domain, named …

Discrete analyses of protein dynamics

TJ Narwani, P Craveur, NK Shinada… - Journal of …, 2020 - Taylor & Francis
Protein structures are highly dynamic macromolecules. This dynamics is often analysed
through experimental and/or computational methods only for an isolated or a limited number …

Investigation of the impact of PTMs on the protein backbone conformation

P Craveur, TJ Narwani, J Rebehmed, AG de Brevern - Amino Acids, 2019 - Springer
Post-translational modifications (PTMs) are known to play a critical role in the regulation of
protein functions. Their impact on protein structures and their link to disorder regions have …

iPBAvizu: a PyMOL plugin for an efficient 3D protein structure superimposition approach

G Faure, AP Joseph, P Craveur, TJ Narwani… - Source code for biology …, 2019 - Springer
Background Protein 3D structure is the support of its function. Comparison of 3D protein
structures provides insight on their evolution and their functional specificities and can be …

Structural and dynamic differences between calreticulin mutants associated with essential thrombocythemia

R Radjasandirane, AG de Brevern - Biomolecules, 2023 - mdpi.com
Essential thrombocythemia (ET) is a blood cancer. ET is characterized by an overproduction
of platelets that can lead to thrombosis formation. Platelet overproduction occurs in …

A structural entropy index to analyse local conformations in intrinsically disordered proteins

MV Akhila, TJ Narwani, A Floch, M Maljković… - Journal of structural …, 2020 - Elsevier
Sequence–structure–function paradigm has been revolutionized by the discovery of
disordered regions and disordered proteins more than two decades ago. While the definition …