Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT.
Bayden, Alexander S
Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT. [electronic resource] - Journal of computer-aided molecular design Sep 2009 - 621-32 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural
1573-4951
10.1007/s10822-009-9270-7 doi
Algorithms
Amino Acids--chemistry
Amyloid Precursor Protein Secretases--chemistry
Computational Biology--methods
Computer Graphics
Crystallography, X-Ray
HIV Reverse Transcriptase--chemistry
Humans
Hydrogen-Ion Concentration
Hydrophobic and Hydrophilic Interactions
Internet
Ligands
Models, Chemical
Molecular Structure
Neuraminidase--antagonists & inhibitors
Protein Binding
Protons
Solvents--chemistry
Thermodynamics
Titrimetry
Web application for studying the free energy of binding and protonation states of protein-ligand complexes based on HINT. [electronic resource] - Journal of computer-aided molecular design Sep 2009 - 621-32 p. digital
Publication Type: Journal Article; Research Support, N.I.H., Extramural
1573-4951
10.1007/s10822-009-9270-7 doi
Algorithms
Amino Acids--chemistry
Amyloid Precursor Protein Secretases--chemistry
Computational Biology--methods
Computer Graphics
Crystallography, X-Ray
HIV Reverse Transcriptase--chemistry
Humans
Hydrogen-Ion Concentration
Hydrophobic and Hydrophilic Interactions
Internet
Ligands
Models, Chemical
Molecular Structure
Neuraminidase--antagonists & inhibitors
Protein Binding
Protons
Solvents--chemistry
Thermodynamics
Titrimetry