[HTML][HTML] Effect and mechanism analysis of different linkers on efficient catalysis of subunit-fused nitrile hydratase

J Guo, Z Cheng, J Berdychowska, X Zhu… - International Journal of …, 2021 - Elsevier
Protein fusion using a linker plays an important role for protein evolution. However,
designing suitable linkers for protein evolution is yet challenging and under-explored. To …

[HTML][HTML] Structural and dynamical insights on HLA-DR2 complexes that confer susceptibility to multiple sclerosis in Sardinia: a molecular dynamics simulation study

A Kumar, E Cocco, L Atzori, MG Marrosu, E Pieroni - PloS one, 2013 - journals.plos.org
Sardinia is a major Island in the Mediterranean with a high incidence of multiple sclerosis, a
chronic autoimmune inflammatory disease of the central nervous system. Disease …

[HTML][HTML] Dynamical footprint of cross-reactivity in a human autoimmune T-cell receptor

A Kumar, F Delogu - Scientific reports, 2017 - nature.com
The present work focuses on the dynamical aspects of cross-reactivity between myelin
based protein (MBP) self-peptide and two microbial peptides (UL15, PMM) for Hy. 1B11 T …

[HTML][HTML] p38 MAPK pathway and its interaction with TRF2 in cisplatin induced chemotherapeutic response in head and neck cancer

S Roy, S Roy, M Kar, S Thakur, Y Akhter, A Kumar… - Oncogenesis, 2018 - nature.com
TRF2 is a telomere binding protein, a component of the shelterin complex that plays a major
role in maintaining the integrity of the genome. TRF2 is over-expressed in a number of …

Identification of novel natural inhibitor for NorM – a multidrug and toxic compound extrusion transporter – an insilico molecular modeling and simulation studies

M Kesherwani, M Michael Gromiha… - Journal of …, 2017 - Taylor & Francis
The emergence of bacterial multidrug resistance is an increasing problem in treatment of
infectious diseases. An important cause for the multidrug resistance of bacteria is the …

Antigenic peptide molecular recognition by the DRB1–DQB1 haplotype modulates multiple sclerosis susceptibility

A Kumar, P Melis, V Genna, E Cocco… - Molecular …, 2014 - pubs.rsc.org
Multiple sclerosis (MS) is an autoimmune disease of the central nervous system that has a
notably high incidence in Sardinia. Our study focuses on two HLA class II haplotypes …

[HTML][HTML] Dual mechanism of ion permeation through VDAC revealed with inorganic phosphate ions and phosphate metabolites

EM Krammer, GT Vu, F Homblé, M Prévost - PLoS One, 2015 - journals.plos.org
In the exchange of metabolites and ions between the mitochondrion and the cytosol, the
voltage-dependent anion channel (VDAC) is a key element, as it forms the major transport …

[HTML][HTML] Unveiling the mechanism of arginine transport through AdiC with molecular dynamics simulations: the guiding role of aromatic residues

EM Krammer, K Ghaddar, B André, M Prévost - PLoS One, 2016 - journals.plos.org
Commensal and pathogenic enteric bacteria have developed several systems to adapt to
proton leakage into the cytoplasm resulting from extreme acidic conditions. One such system …

[HTML][HTML] On the Modularity of the Intrinsic Flexibility of the µ Opioid Receptor: A Computational Study

M Fossépré, L Leherte, A Laaksonen, DP Vercauteren - PloS one, 2014 - journals.plos.org
The µ opioid receptor (µ OR), the principal target to control pain, belongs to the G protein-
coupled receptors (GPCRs) family, one of the most highlighted protein families due to their …

[HTML][HTML] Capturing the embryonic stages of self-assembly-design rules for molecular computation

PN Nirmalraj, D Thompson, HE Riel - Scientific reports, 2015 - nature.com
The drive towards organic computing is gaining momentum. Interestingly, the building
blocks for such architectures is based on molecular ensembles extending from nucleic acids …