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Keyword    molecular modeling

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Molecular Modelling of a Thermostable Glycoside Hydrolase from Caldivirga maquilingensis and Its Substrate Docking Mechanism for Galactooligosaccharides Synthesis
by Rebaone Letsididi, Kekgabile S. Letsididi, Tao Zhang, Bo Jiang and Wanmeng Mu
Biomedicine and Biotechnology. 2018, 6(1), 1-7. DOI: 10.12691/bb-6-1-1
Pub. Date: March 19, 2018Views: 16398Downloads: 15919
molecular modeling docking glycoside hydrolase thermostable galacto-oligosaccharides Caldivirga maquilingensis
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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: 31569Downloads: 27253
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: 13727Downloads: 11845
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: 15109Downloads: 10878
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: 20998Downloads: 16293
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: 18227Downloads: 12143
molecular modeling binding constant computer aided drug design
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