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5 results for computer aided drug design.

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Keyword    computer aided drug design

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It Is Important to Compute Intramolecular Hydrogen Bonding in Drug Design?
by María J. R. Yunta
American Journal of Modeling and Optimization. 2017, 5(1), 24-57. DOI: 10.12691/ajmo-5-1-3
Pub. Date: October 30, 2017Views: 31840Downloads: 27502
molecular modeling weak intermolecular interactions intramolecular hydrogen bonding binding affinity computer aided drug design
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How Important is to Account for Water When Modeling Biomolecular Complexes?
by María J. R. Yunta
American Journal of Modeling and Optimization. 2015, 3(3), 68-86. DOI: 10.12691/ajmo-3-3-2
Pub. Date: October 30, 2015Views: 13826Downloads: 11938
molecular modeling protonation state computer aided drug design
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Some Critical Aspects of Molecular Interactions Between Drugs and Receptors
by María J. R. Yunta
American Journal of Modeling and Optimization. 2014, 2(4), 84-102. DOI: 10.12691/ajmo-2-4-1
Pub. Date: October 26, 2014Views: 15194Downloads: 10947
molecular modeling protonation state computer aided drug design
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Docking and Ligand Binding Affinity: Uses and Pitfalls
by María J. R. Yunta
American Journal of Modeling and Optimization. 2016, 4(3), 74-114. DOI: 10.12691/ajmo-4-3-2
Pub. Date: December 01, 2016Views: 21151Downloads: 16430
molecular modeling docking binding affinity drug scoring computer aided drug design
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How to Calculate Binding Constants for Drug Discovery Studies
by María J.R. Yunta
American Journal of Modeling and Optimization. 2013, 1(3), 61-70. DOI: 10.12691/ajmo-1-3-7
Pub. Date: December 22, 2013Views: 18318Downloads: 12216
molecular modeling binding constant computer aided drug design
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