A million crystal structures: The whole is greater than the sum of its parts

R Taylor, PA Wood - Chemical reviews, 2019 - ACS Publications
The founding in 1965 of what is now called the Cambridge Structural Database (CSD) has
reaped dividends in numerous and diverse areas of chemical research. Each of the million …

Contributions of London Dispersion Forces to Solution-Phase Association Processes

H Liu, KD Shimizu - Accounts of Chemical Research, 2023 - ACS Publications
Conspectus Despite their ubiquity and early discovery, London dispersion forces are often
overlooked. This is due, in part, to the difficulty in assessing their contributions to molecular …

Structural basis for perception of diverse chemical substances by T1r taste receptors

N Nuemket, N Yasui, Y Kusakabe, Y Nomura… - Nature …, 2017 - nature.com
The taste receptor type 1 (T1r) family perceives 'palatable'tastes. These receptors function as
T1r2-T1r3 and T1r1-T1r3 heterodimers to recognize a wide array of sweet and umami …

[PDF][PDF] Water: new aspect of hydrogen bonding in the solid state

MR Milovanović, IM Stanković, JM Živković… - IUCrJ, 2022 - journals.iucr.org
All water–water contacts in the crystal structures from the Cambridge Structural Database
with dOO≤ 4.0 Å have been found. These contacts were analysed on the basis of their …

Preferred geometries and energies of sulfur–sulfur interactions in crystal structures

IS Antonijevic, GV Janjic, MK Milcic… - Crystal Growth & …, 2016 - ACS Publications
It has been demonstrated that sulfur–sulfur interactions can exist in various molecular
systems. In this work we investigated sulfur–sulfur interactions in crystal structures of small …

Polarizable multipole-based force field for aromatic molecules and nucleobases

C Zhang, D Bell, M Harger, P Ren - Journal of chemical theory …, 2017 - ACS Publications
Aromatic molecules with π electrons are commonly involved in chemical and biological
recognitions. For example, nucleobases play central roles in DNA/RNA structure and their …

Measurement of Solvent OH− π Interactions Using a Molecular Balance

JM Maier, P Li, EC Vik, CJ Yehl… - Journal of the …, 2017 - ACS Publications
A molecular torsion balance was designed to study and measure OH− π interactions
between protic solvents and aromatic surfaces. These specific solvent–solute interactions …

Solvation of Nanoscale Materials

AN Mapile, E Svensson Grape… - Chemistry of …, 2024 - ACS Publications
The utility of colloidal nanomaterials in energy storage devices, high-definition displays, and
industrial coatings depends on their solution processability and stability. Traditional theories …

C–H/O interactions of aromatic CH donors within proteins: a crystallographic study

JL Dragelj, IM Stankovic, DM Bozinovski… - Crystal Growth & …, 2016 - ACS Publications
C–H/O interactions of aromatic C–H donors within proteins have been studied by analyzing
the data in the Protein Data Bank (PDB). The C–H/O interactions were studied between …

Serine and cysteine π-interactions in nature: A comparison of the frequency, structure, and stability of contacts involving oxygen and sulfur

HB Hussain, KA Wilson… - Australian Journal of …, 2014 - CSIRO Publishing
Despite many DNA–protein π-interactions in high-resolution crystal structures, only four X–
H··· π or X··· π interactions were found between serine (Ser) or cysteine (Cys) and DNA …