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molecular modeling

Known as: Nucleic Acid Biochemistry, Molecular Modeling, Protein/Amino Acid Biochemistry, Molecular Modeling 
The computer simulation of chemical structures or processes; allows for the exploration, visualization, and manipulation of molecular structures and… 
National Institutes of Health

Related topics

Related topics

3 relations
Models, ChemicalModels, MolecularMolecular Dynamics

Papers overview

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Highly Cited
2006
Highly Cited
2006
Conformational Flexibility of Mammalian Cytochrome P450 2B4 in Binding Imidazole Inhibitors with Different Ring Chemistry and Side Chains
Recent x-ray structures of cytochrome P450 2B4 (CYP2B4) reveal an open form that undergoes a large-scale structural transition to… 
Highly Cited
2006
Highly Cited
2006
DFT modeling and spectroscopic study of metal-ligand bonding in La(III) complex of coumarin-3-carboxylic acid
Highly Cited
2004
Highly Cited
2004
Analysis of Bothrops jararacussu venomous gland transcriptome focusing on structural and functional aspects: I--gene expression profile of highly expressed phospholipases A2.
Highly Cited
2003
Highly Cited
2003
Novel small molecule inhibitors of botulinum neurotoxin A metalloprotease activity.
Highly Cited
2002
Highly Cited
2002
Structure and stability of wild-type and mutant RNA internal loops from the SL-1 domain of the HIV-1 packaging signal.
Highly Cited
1997
Highly Cited
1997
Molecular recognition at the thrombin active site: structure-based design and synthesis of potent and selective thrombin inhibitors and the X-ray crystal structures of two thrombin-inhibitor…
Highly Cited
1996
Highly Cited
1996
Self-Assembly of (n)Rotaxanes Bearing Dendritic Stoppers ┴
We have developed a synthetic approach to the self-assembly of [2]-, [3]-, and [4]rotaxanes, incorporating bis-p-phenylene-34… 
Highly Cited
1996
Highly Cited
1996
Using SAR and QSAR analysis to model the activity and structure of the quinolone-DNA complex.
Review
1990
Review
1990
Molecular anatomy and molecular design of channel proteins
A central goal in membrane biology is to understand how channel proteins work in terms of their underlying protein structures… 
Highly Cited
1989
Highly Cited
1989
Evolution of a bifunctional enzyme: 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase.
The bifunctional rat liver enzyme 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (ATP:D-fructose-6-phosphate 2… 
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