Semi-quantitative evaluation of molecular meshing via surface analysis with varying probe radii

Author:

Tanaka Naru123,Zhan Yi-Yang123ORCID,Ozawa Yuka123,Kojima Tatsuo123ORCID,Koide Takuya453,Mashiko Takako453,Nagashima Umpei673,Tachikawa Masanori453,Hiraoka Shuichi123ORCID

Affiliation:

1. Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo

2. Tokyo 153-8902

3. Japan

4. Quantum Chemistry Division, Graduate School of Science, Yokohama City University

5. Yokohama

6. Foundation for Computational Science (FOCUS)

7. Kobe

Abstract

Molecular meshing in molecular recognition and assembly can be assessed by plotting the distribution of contact surfaces against the contact distance.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Reference35 articles.

1. Water—The Most Anomalous Liquid

2. K. A. Dill and S.Bromberg , Molecular Driving Forces: Statistical Thermodynamics in Biology, Chemistry, Physics, and Nanoscience , Garland Science , 2nd edn, 2010

3. Hydrophobic Effects. Opinions and Facts

4. The hydrophobic effect

5. The basis of the hydrophobic effect

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