Electronic structure modeling of metal–organic frameworks

JL Mancuso, AM Mroz, KN Le, CH Hendon - Chemical reviews, 2020 - ACS Publications
Owing to their molecular building blocks, yet highly crystalline nature, metal–organic
frameworks (MOFs) sit at the interface between molecule and material. Their diverse …

Chirality and protein biosynthesis

SD Banik, N Nandi - Biochirality: Origins, Evolution and Molecular …, 2013 - Springer
Chirality is present at all levels of structural hierarchy of protein and plays a significant role in
protein biosynthesis. The macromolecules involved in protein biosynthesis such as …

Free energy landscape of the adenylation reaction of the aminoacylation process at the active site of aspartyl tRNA synthetase

S Dutta, A Chandra - The Journal of Physical Chemistry B, 2022 - ACS Publications
The process of protein biosynthesis is initiated by the aminoacylation process where a
transfer ribonucleic acid (tRNA) is charged by the attachment of its cognate amino acid at the …

Catalytic Fields as a Tool to Analyze Enzyme Reaction Mechanism Variants and Reaction Steps

P Kędzierski, M Moskal… - The Journal of Physical …, 2021 - ACS Publications
Catalytic fields representing the topology of the optimal molecular environment charge
distribution that reduces the activation barrier have been used to examine alternative …

Mechanism of the activation step of the aminoacylation reaction: a significant difference between class I and class II synthetases

SD Banik, N Nandi - Journal of Biomolecular Structure and …, 2012 - Taylor & Francis
In the present work we report, for the first time, a novel difference in the molecular
mechanism of the activation step of aminoacylation reaction between the class I and class II …

[图书][B] Chirality in Biological Nanospaces

N Nandi, K Thirumoorthy - 2012 - api.taylorfrancis.com
The relationship of molecular chirality and biology is intriguing. Our curiosity prompts the
question as to why diverse natural biological molecules are overwhelmingly dissymmetric. Is …

Computational methods for molecular understanding of the antibiotic‐aminoacyl tRNA synthetase interaction

S Chowdhury, P Ghosh, N Nandi - Current Protocols, 2023 - Wiley Online Library
Developing an understanding of the interactions between an antibiotic and its binding site in
a pathogen cell is the key to antibiotic design—an important cost‐saving methodology …

Active site nanospace of aminoacyl tRNA synthetase: difference between the class I and class II synthetases

S Dutta, K Choudhury, SD Banik… - Journal of Nanoscience …, 2014 - ingentaconnect.com
The present work is aimed at understanding the origin of the difference in the molecular
organization of the active site nanospaces of the class I and class II aminoacyl tRNA …

Evolution of Antifungal Drug Tolerance in Candida Albicans

CAG Brinco - 2018 - search.proquest.com
Catarina Alexandra Gomes Brinco Evolution of antifungal drug tolerance in Candida
albicans Evolução de tolerância a antifún Page 1 Universidade de Aveiro Ano 2018 …

Molecular Interaction in Biomimetics and Biosystems: Chirality and Confinement at Nanodimension

N Nandi, S Dutta - … of Biocolloid and Biointerface Science 2V …, 2016 - Wiley Online Library
Intricate intermolecular interaction in various biomimetic systems such as monolayers and
bilayers lead to the formation of exotic morphologies. Chirality at the lower‐level microscopic …