Scientists Thought They Made a Mistake – But It Led to a Groundbreaking “Molecular Einstein” Discovery
A strange molecular pattern, first mistaken for an error, led researchers to an unexpected discovery: molecules forming ...
C&EN25d
Ligand-Conditioned Side Chain Packing for Flexible Molecular Docking
State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen ...
Nature26d
The Kinetic Theory of Gases
THE difficulty of reconciling line spectra with the kinetic theory of gases, has been referred to by Prof. Fitzgerald (NATURE, January 3, p. 221). The following considerations show that it is ...
C&EN1mon
Accelerating Molecular Dynamics through Informed Resetting
School of Chemistry, Tel Aviv University, Tel Aviv 6997801, Israel The Center for Computational Molecular and Materials Science, Tel Aviv University, Tel Aviv 6997801, Israel School of Chemistry, Tel ...