Instruct: Identify the main category of Biorxiv papers based on the titles and abstracts
Query: Uncovering One-Dimensional Reaction Coordinate that Underlies Structure-Function Relationship of Proteins Understanding the mechanism of functional protein dynamics is critical to understanding protein functions. Reaction coordinates is a central topic in protein dynamics and the grail is to find the one-dimensional reaction coordinate that can fully determine the value of committor (i.e. the reaction probability in configuration space) for any protein configuration. We present a powerful new method that can, for the first time, identify the rigorous one-dimensional reaction coordinate in complex molecules. This one-dimensional reaction coordinate is determined by a fundamental mechanical operator--the generalized work functional. This method only requires modest computational cost and can be readily applied to large molecules. Most importantly, the generalized work functional is the physical origin of the collectivity in functional protein dynamics and provides a tentative roadmap that connects the structure of a protein to its function.
10
The categories of this paper are: and
21
The categories of this paper are: toxicology
22
The categories of this paper are: physiology
7
The categories of this paper are: ecology
31
The categories of this paper are: paleontology
30
The categories of this paper are: scientific
20
The categories of this paper are: pharmacology
19
The categories of this paper are: epidemiology
18
The categories of this paper are: systems
26
The categories of this paper are: biochemistry
2
The categories of this paper are: biology
12
The categories of this paper are: behavior
1
The categories of this paper are: bioinformatics
32
The categories of this paper are: zoology
11
The categories of this paper are: cognition
24
The categories of this paper are: cancer