A systematic and critical review of application of molecular dynamics simulation in low salinity water injection
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 …
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
Methods such as electron microscopy and electrophysiology led to the understanding that
gap junctions were dense arrays of channels connecting the intracellular environments …
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 …
comprehensive performance of Hevea natural rubber (NR) with properties such as high …
Cryo-EM structure of human Cx31. 3/GJC3 connexin hemichannel
Connexin family proteins assemble into hexameric channels called hemichannels/
connexons, which function as transmembrane channels or dock together to form gap …
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 …
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 …
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
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 …
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
Erythrokeratodermia variabilis et progressiva (EKVP) is a rare hereditary skin disorder
characterized by hyperkeratotic plaques and erythematous patches that progressively …
characterized by hyperkeratotic plaques and erythematous patches that progressively …
RIP-MD: a tool to study residue interaction networks in protein molecular dynamics
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 …
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 …
medium for the dissolution of cellulose in an efficient manner. To develop a proper solvent …