结构,动态,复杂和功能:从经典计算到人工智能

Elena Frasnetti1, Andrea Magni1, Matteo Castelli1

  • 1Department of Chemistry, University of Pavia, via Taramelli 12, 27100 Pavia, Italy.

概括

计算方法和人工智能 (AI) 正在彻底改变结构生物学. 将原子模拟与人工智能相结合,为了解分子识别和设计蛋白质结构提供了强大的新方法.

相关概念视频

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving01:29

Mechanistic Models: Compartment Models in Algorithms for Numerical Problem Solving

Mechanistic models play a crucial role in algorithms for numerical problem-solving, particularly in nonlinear mixed effects modeling (NMEM). These models aim to minimize specific objective functions by evaluating various parameter estimates, leading to the development of systematic algorithms. In some cases, linearization techniques approximate the model using linear equations.
In individual population analyses, different algorithms are employed, such as Cauchy's method, which uses a...
51
Stability of structures01:14

Stability of structures

In mechanical engineering, the stability of systems under various forces is critical for designing durable and efficient structures. One fundamental way to explore these concepts is by analyzing systems like two rods connected at a pivot point, O, with a torsional spring of spring constant k at the pivot point. This system is similar in appearance to a scissor jack used to change tires on a car. In this case, the arms of the linkage (equivalent to the rods in this system) are entirely vertical,...
162
Introduction to Structures01:30

Introduction to Structures

A structure is defined as a system of interconnected members designed to support or transfer forces and successfully withstand the loads acting on them. The internal forces of a structure can be determined by decomposing the structure and analyzing the free-body diagrams of the individual members or of a combination of members. This helps in understanding the structural elements' behavior and ensuring that the structure is stable and can withstand the subjected loads.
There are three main...
1.0K
SFG Algebra01:16

SFG Algebra

In Signal Flow Graph (SFG) algebra, the value a node represents is determined by the sum of all signals entering that node. This summed value is then transmitted through every branch leaving the node, making the SFG a powerful tool for visualizing and analyzing control systems.
Each node in an SFG corresponds to a variable, and the interactions between nodes are represented by branches with associated gains. When multiple branches lead into a node, the value at that node is the sum of the...
116
Natural and Artificial Concepts01:24

Natural and Artificial Concepts

In psychology, concepts can be divided into two categories: natural and artificial. Natural concepts are formed through direct or indirect experiences. For example, consider the concept of snow. If you live in a place with regular snowfall, such as Essex Junction, Vermont, you know snow through direct experiences. You’ve seen it fall, touched it, shoveled it, and played in it. You recognize its texture, appearance, and even its smell. In contrast, if you live on an island like Saint...
153
Convolution Properties I01:20

Convolution Properties I

Convolution computations can be simplified by utilizing their inherent properties.
The commutative property reveals that the input and the impulse response of an LTI (Linear Time-Invariant) system can be interchanged without affecting the output:
147