Skip to search formSkip to main content
You are currently offline. Some features of the site may not work correctly.

Internal Coordinate Mechanics

Known as: ICM 
ICM stands for Internal Coordinate Mechanics and was first designed and built to predict low energy conformations of molecules by sampling the space… Expand
Wikipedia

Related topics

Related topics

4 relations
Computational chemistryForce field (chemistry)ICM-BrowserMolecular mechanics

Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
2010
2010
Docking arachidonic acid to 8R-lipoxygenase using internal coordinate mechanics
Human lipoxygenases (LOX) play important roles in the biosynthesis of leukotrienes which contribute to inflammation in asthma and… Expand
  • table 1
  • figure 1
  • figure 2
  • figure 3
Is this relevant?
2009
2009
Solvation Energy Calculation Based on Electronegativity Equalization Method's (EEM) Charges, Internal Coordinate Mechanics's (ICM) Charges and Charges Based on Partition Coefficients
Although there is no absolutely precise method for charge determination, QM methods are considered to be sufficiently accurate… Expand
Is this relevant?
2009
2009
Lonazolac analogues: molecular modeling, synthesis, and in vivo anti-inflammatory activity
A novel series of 1,3-diarylpyrazole derivatives (4–8), analogues to lonazolac, were designed, synthesized, and evaluated for… Expand
  • figure 1
  • figure 2
  • figure 3
  • figure 4
  • table 1
Is this relevant?
2008
2008
Molecular recognition of long chain fatty acids by peroxisome proliferator-activated receptor α
In the present study, flexible ligand docking and multiple scoring were used to study the binding of long-chain fatty acid (LCFAs… Expand
  • figure 1
  • table 1
  • figure 2
  • table 2
  • table 3
Is this relevant?
2006
2006
Metabolism of Bergamottin by Cytochromes P 450 2 B 6 and 3 A 5
Cytochromes P450 (P450) 2B6 and 3A5 are inactivated by bergamottin (BG). P450 2B6 metabolized BG primarily to M3 and M4 and one… Expand
  • table 1
  • figure 1
  • figure 2
  • table 2
  • figure 3
Is this relevant?
Review
2005
Review
2005
The Challenge of Considering Receptor Flexibility in Ligand Docking and Virtual Screening
Computational ligand docking and screening is widely employed throughout the pharmaceutical industry to speed up the drug… Expand
Is this relevant?
2001
2001
Chemical Enrichment and Energetics of the ICM with Redshift
In this paper we show preliminary results concerning the chemical and energetic enrichment of the ICM by means of supernova… Expand
  • figure 1
  • figure 2
  • figure 3
  • table 1
Is this relevant?
2001
2001
Reza Jacob
Recent efforts in structural biology have lead and will lead to an exponential growth in the number of structures publicly… Expand
  • table 1
Is this relevant?
1996
1996
A qualitative systems methodological approach to environmental problems: The case of integrated catchment management in Western Australia
Environmental problems are generally regarded as being systemic in nature, yet few systemic management techniques are used in… Expand
Is this relevant?
1994
1994
Efficient Parallelization of the Energy, Surface, and Dericative Calculations for Internal Coordinate Mechanics
An efficient algorithm for parallelization of a molecular mechanics program operating in the space of internal coordinates such… Expand
Is this relevant?
By clicking accept or continuing to use the site, you agree to the terms outlined in our Privacy Policy, Terms of Service, and Dataset License
ACCEPT & CONTINUE