A systematic and critical review of application of molecular dynamics simulation in low salinity water injection

M Ghasemi, A Shafiei, J Foroozesh - Advances in Colloid and Interface …, 2022 - Elsevier
Abstract Low Salinity Water Injection (LSWI) has been a well-researched EOR method, with
several experimental and theoretical scientific papers reported in the literature over the past …

A structural and functional comparison of gap junction channels composed of connexins and innexins

IM Skerrett, JB Williams - Developmental neurobiology, 2017 - Wiley Online Library
Methods such as electron microscopy and electrophysiology led to the understanding that
gap junctions were dense arrays of channels connecting the intracellular environments …

Role of Terminal Groups of cis-1,4-Polyisoprene Chains in the Formation of Physical Junction Points in Natural Rubber

M Dixit, T Taniguchi - Biomacromolecules, 2023 - ACS Publications
The terminal structures of cis-1, 4-polyisoprene (PI) chains play a vital role in the excellent
comprehensive performance of Hevea natural rubber (NR) with properties such as high …

Cryo-EM structure of human Cx31. 3/GJC3 connexin hemichannel

HJ Lee, H Jeong, J Hyun, B Ryu, K Park, HH Lim… - Science …, 2020 - science.org
Connexin family proteins assemble into hexameric channels called hemichannels/
connexons, which function as transmembrane channels or dock together to form gap …

Effect of Impurities on the Formation of End-Group Clusters in Natural Rubber: Phenylalanine Dipeptide as an Impurity Protein

M Dixit, T Taniguchi - Macromolecules, 2024 - ACS Publications
Natural rubber (NR), containing nonrubber constituents such as proteins, exhibits
exceptional characteristics including high toughness, tear resistance, and wet skid …

Substantial Effect of Terminal Groups in cis-Polyisoprene: A Multiscale Molecular Dynamics Simulation Study

M Dixit, T Taniguchi - Macromolecules, 2022 - ACS Publications
Hevea natural rubber (NR) consists of 99% cis-polyisoprene with dimethyl allyl-(trans-1, 4-
isoprene) 2 (ω) and α terminal groups. These terminal groups provide excellent mechanical …

Transmembrane helix connectivity in Orai1 controls two gates for calcium-dependent transcription

I Frischauf, M Litviňuková, R Schober, V Zayats… - Science …, 2017 - science.org
The channel Orai1 requires Ca2+ store depletion in the endoplasmic reticulum and an
interaction with the Ca2+ sensor STIM1 to mediate Ca2+ signaling. Alterations in Orai1 …

[HTML][HTML] The genetic and molecular basis of a connexin-linked skin disease

SA Lucaciu, DW Laird - Biochemical Journal, 2024 - portlandpress.com
Erythrokeratodermia variabilis et progressiva (EKVP) is a rare hereditary skin disorder
characterized by hyperkeratotic plaques and erythematous patches that progressively …

RIP-MD: a tool to study residue interaction networks in protein molecular dynamics

S Contreras-Riquelme, JA Garate, T Perez-Acle… - PeerJ, 2018 - peerj.com
Protein structure is not static; residues undergo conformational rearrangements and, in
doing so, create, stabilize or break non-covalent interactions. Molecular dynamics (MD) is a …

Ionic Pairing and Selective Solvation of Butylmethylimidazolium Chloride Ion Pairs in DMSO–Water Mixtures: A Comprehensive Examination via Molecular Dynamics …

M Dixit, T Hajari, MD Meti, S Srivastava… - The Journal of …, 2024 - ACS Publications
Ionic liquids (ILs) with dimethyl sulfoxide (DMSO) and water act as a promising solvent
medium for the dissolution of cellulose in an efficient manner. To develop a proper solvent …