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Noncovalent interactions in proteins and nucleic acids: Beyond hydrogen bonding and π-stacking
Understanding the noncovalent interactions (NCIs) among the residues of proteins and
nucleic acids, and between drugs and proteins/nucleic acids, etc., has extraordinary …
nucleic acids, and between drugs and proteins/nucleic acids, etc., has extraordinary …
The realm of unconventional noncovalent interactions in proteins: their significance in structure and function
VA Adhav, K Saikrishnan - Acs Omega, 2023 - ACS Publications
Proteins and their assemblies are fundamental for living cells to function. Their complex
three-dimensional architecture and its stability are attributed to the combined effect of …
three-dimensional architecture and its stability are attributed to the combined effect of …
Experimental binding energies in supramolecular complexes
On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …
C–H⋯ S hydrogen bonding interactions
The short C–H⋯ S contacts found in available structural data for both small molecules and
larger biomolecular systems suggest that such contacts are an often overlooked yet …
larger biomolecular systems suggest that such contacts are an often overlooked yet …
The prodigious hydrogen bonds with sulfur and selenium in molecular assemblies, structural biology, and functional materials
Conspectus Hydrogen bonds (H-bonds) play important roles in imparting functionality to the
basic molecules of life by stabilizing their structures and directing their interactions …
basic molecules of life by stabilizing their structures and directing their interactions …
Noncovalent Carbon‐Bonding Interactions in Proteins
Carbon bonds (C‐bonds) are the highly directional noncovalent interactions between
carbonyl‐oxygen acceptors and sp3‐hybridized‐carbon σ‐hole donors through n→ σ …
carbonyl‐oxygen acceptors and sp3‐hybridized‐carbon σ‐hole donors through n→ σ …
OLIVES: a go-like model for stabilizing protein structure via hydrogen bonding native contacts in the martini 3 coarse-grained force field
KB Pedersen, L Borges-Araújo… - Journal of Chemical …, 2024 - ACS Publications
Coarse-grained molecular dynamics simulations enable the modeling of increasingly
complex systems at millisecond timescales. The transferable coarse-grained force field …
complex systems at millisecond timescales. The transferable coarse-grained force field …
Atroposelective Electrophilic Sulfenylation of N‐Aryl Aminoquinone Derivatives Catalyzed by Chiral SPINOL‐Derived Sulfide
D Zhu, L Yu, HY Luo, XS Xue, ZM Chen - Angewandte Chemie, 2022 - Wiley Online Library
Atroposelective electrophilic sulfenylation of N‐aryl aminoquinone derivatives has been
achieved for the first time. This transformation is enabled by a new chiral 6, 6′‐disubstituted …
achieved for the first time. This transformation is enabled by a new chiral 6, 6′‐disubstituted …
C–H⋯ S Interaction exhibits all the characteristics of conventional hydrogen bonds
This is a tale of a pair of a hydrogen bond donor and acceptor, namely the CH donor and
sulphur acceptor, neither of which is a conventional hydrogen bond participant. Sulfur (S) …
sulphur acceptor, neither of which is a conventional hydrogen bond participant. Sulfur (S) …
Participation of S and Se in hydrogen and chalcogen bonds
S Scheiner - CrystEngComm, 2021 - pubs.rsc.org
This article reviews the history and the current state of knowledge concerning the ability of
the heavy chalcogen atoms S and Se, and to some extent Te, to participate in a H-bond as …
the heavy chalcogen atoms S and Se, and to some extent Te, to participate in a H-bond as …