Allele Competitive Response qm/mm Method in Living Systems
A competitive and systematic technology, applied in bioinformatics, instruments, etc., can solve problems such as increased computing costs, inability to fully describe the movement of electrons, and huge computational loads
- Summary
- Abstract
- Description
- Claims
- Application Information
AI Technical Summary
Problems solved by technology
Method used
Image
Examples
Embodiment Construction
[0034] Using the QM / MM method, the first step is to divide the entire system into three different regions, namely, zone I including the reactive center, zone II around the reactive center, and zone III composed of all other atoms (such as figure 1 Shown):
[0035] Zone I is the key part of the investigation. Because it involves the formation or breaking of chemical bonds, this area needs to be processed by quantum mechanics, so it is also called the QM area. Zone II is the peripheral environment composed of all atoms outside the active center. It does not directly involve the formation of chemical bonds, and generally involves thousands or tens of thousands of atoms, so it is processed by molecular mechanics, so it is also called MM zone. The atoms that do not belong to zone I and zone II are generally called boundary zone (zone III). So the effective Hamiltonian operator of the whole system can be expressed as:
[0036] H eff =Ĥ 0 QM +Ĥ QM / MM +Ĥ MM (1)
[0037] The three ter...
PUM
Abstract
Description
Claims
Application Information
- R&D Engineer
- R&D Manager
- IP Professional
- Industry Leading Data Capabilities
- Powerful AI technology
- Patent DNA Extraction
Browse by: Latest US Patents, China's latest patents, Technical Efficacy Thesaurus, Application Domain, Technology Topic, Popular Technical Reports.
© 2024 PatSnap. All rights reserved.Legal|Privacy policy|Modern Slavery Act Transparency Statement|Sitemap|About US| Contact US: help@patsnap.com