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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…
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Computational chemistry
Force field (chemistry)
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Molecular 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
Tianchuan Du
,
Shuju Bai
,
E. Khosravi
ACM International Conference on Bioinformatics…
2010
Corpus ID: 7996388
Human lipoxygenases (LOX) play important roles in the biosynthesis of leukotrienes which contribute to inflammation in asthma and…
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2010
2010
Using computational method to identify the binding site of 8R-lipoxygenase for arachidonic acid
Tianchuan Du
,
N. Rama
,
Shuju Bai
,
E. Khosravi
IEEE International Conference on Bioinformatics…
2010
Corpus ID: 43225766
Lipoxygenases (LOX) play important roles in the biosynthesis of biologically active eicosanoids form polyunsaturated fatty acids…
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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
Z. Jirousková
,
R. Abagyan
,
J. Koča
2009
Corpus ID: 103994233
Although there is no absolutely precise method for charge determination, QM methods are considered to be sufficiently accurate…
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2009
2009
A Microcontroller Instruction Set Simulator for EMI Prediction
Shih-Yi Yuan
,
Huai-En Chung
,
S. Liao
IEEE transactions on electromagnetic…
2009
Corpus ID: 40938232
This paper predicts programspsila effect of time-domain electromagnetic interference (EMI) on a simple microcontroller. Using the…
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2006
2006
Metabolism of Bergamottin by Cytochromes P 450 2 B 6 and 3 A 5
U. Kent
,
Hsia-lien Lin
,
Kathleen R. Noon
,
D. Harris
,
P. Hollenberg
2006
Corpus ID: 33513185
Cytochromes P450 (P450) 2B6 and 3A5 are inactivated by bergamottin (BG). P450 2B6 metabolized BG primarily to M3 and M4 and one…
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Review
2005
Review
2005
The Challenge of Considering Receptor Flexibility in Ligand Docking and Virtual Screening
Claudio N. Cavasotto
,
A. Orry
,
R. Abagyan
2005
Corpus ID: 56258277
Computational ligand docking and screening is widely employed throughout the pharmaceutical industry to speed up the drug…
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2002
2002
Computational structural proteomics and virtual ligand screening
R. Abagyan
Annual International Conference on Research in…
2002
Corpus ID: 14389153
Large scale discovery of new human genes, gene families and isozymes creates an exciting biomedical opportunity. Advanced…
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2001
2001
**title** Asp Conference Series, Vol. **volume**, **publication Year** **editors** Chemical Enrichment and Energetics of the Icm with Redshift
A. Pipino
,
Francesca Matteucci
,
S. Borgani
,
A. Biviano
2001
Corpus ID: 266012997
In this paper we show preliminary results concerning the chemical and energetic enrichment of the ICM by means of supernova…
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2000
2000
An Estimator of the Inverse Covariance Matrix and Its Application to Ml Parameter Estimation in Dynamical Systems
ଝ. B. David
,
G. Bastin
2000
Corpus ID: 7388252
An exact formula of the inverse covariance matrix of an autoregressive stochastic process is obtained using the Gohberg}Semencul…
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1996
1996
A qualitative systems methodological approach to environmental problems: The case of integrated catchment management in Western Australia
W. Hutchinson
1996
Corpus ID: 203707151
Environmental problems are generally regarded as being systemic in nature, yet few systemic management techniques are used in…
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