Experimental binding energies in supramolecular complexes

F Biedermann, HJ Schneider - Chemical reviews, 2016 - ACS Publications
On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …

Molecular recognition in chemical and biological systems

E Persch, O Dumele, F Diederich - … Chemie International Edition, 2015 - Wiley Online Library
Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …

Regulation of protein-ligand binding affinity by hydrogen bond pairing

D Chen, N Oezguen, P Urvil, C Ferguson, SM Dann… - Science …, 2016 - science.org
Hydrogen (H)-bonds potentiate diverse cellular functions by facilitating molecular
interactions. The mechanism and the extent to which H-bonds regulate molecular …

A systematic analysis of atomic protein–ligand interactions in the PDB

RF de Freitas, M Schapira - Medchemcomm, 2017 - pubs.rsc.org
As the protein databank (PDB) recently passed the cap of 123 456 structures, it stands more
than ever as an important resource not only to analyze structural features of specific …

Cation− π interaction: Its role and relevance in chemistry, biology, and material science

AS Mahadevi, GN Sastry - Chemical reviews, 2013 - ACS Publications
Noncovalent interactions are essential for the existence of solid and liquid phases. 1, 2
Traditionally touted as weak forces, quantification of these interactions, which govern the …

Aromatic rings in chemical and biological recognition: energetics and structures

LM Salonen, M Ellermann… - Angewandte Chemie …, 2011 - Wiley Online Library
This review describes a multidimensional treatment of molecular recognition phenomena
involving aromatic rings in chemical and biological systems. It summarizes new results …

A medicinal chemist's guide to molecular interactions

C Bissantz, B Kuhn, M Stahl - Journal of medicinal chemistry, 2010 - ACS Publications
Molecular recognition in biological systems relies on the existence of specific attractive
interactions between two partner molecules. Structure-based drug design seeks to identify …

Cation− π interactions in organic synthesis

S Yamada - Chemical reviews, 2018 - ACS Publications
The cation− π interaction is an attractive noncovalent interaction between a cation and a π
system. Due to the stronger interaction energy than those of the other π interactions, such as …

Molecular recognition with resorcin [4] arene cavitands: switching, halogen-bonded capsules, and enantioselective complexation

C Gropp, BL Quigley, F Diederich - Journal of the American …, 2018 - ACS Publications
The development of synthetic host–guest chemistry to investigate and quantify weak, non-
covalent interactions has been key to unraveling the complexity of molecular recognition in …

N+-CH···O Hydrogen bonds in protein-ligand complexes

Y Itoh, Y Nakashima, S Tsukamoto, T Kurohara… - Scientific reports, 2019 - nature.com
In the context of drug design, CH··· O hydrogen bonds have received little attention so far,
mostly because they are considered weak relative to other noncovalent interactions such as …