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Journal of Computer-Aided Molecular Design|April 2, 2017
Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonistA F Marmolejo-Valencia, K Martínez-MayorgaJournal of Computer-Aided Molecular Design|September 29, 2016
Absolute binding free energy calculations of CBClip host-guest systems in the SAMPL5 blind challengeJuyong Lee, Florentina Tofoleanu, Frank C Pickard, et al.Journal of Computer-Aided Molecular Design|September 29, 2016
Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challengeCaitlin C Bannan, Kalistyn H Burley, Michael Chiu, et al.Journal of Computer-Aided Molecular Design|March 20, 2017
A CADD-alog of strategies in pharmaWendy A WarrJournal of Computer-Aided Molecular Design|March 20, 2017
Ligand-based virtual screening under partial shape constraintsMathias M von Behren, Matthias RareyJournal of Computer-Aided Molecular Design|April 29, 2014
Structure-based design, synthesis and biological evaluation of β-glucuronidase inhibitorsKhalid M Khan, Nida Ambreen, Muhammad Taha, et al.Journal of Computer-Aided Molecular Design|April 8, 2014
SAMPL4, a blind challenge for computational solvation free energies: the compounds consideredJ Peter GuthrieJournal of Computer-Aided Molecular Design|January 12, 2017
Exploring the stability of ligand binding modes to proteins by molecular dynamics simulationsKai Liu, Etsurou Watanabe, Hironori KokuboJournal of Computer-Aided Molecular Design|February 22, 2017
Quantum probability ranking principle for ligand-based virtual screeningMohammed Mumtaz Al-Dabbagh, Naomie Salim, Mubarak Himmat, et al.Journal of Computer-Aided Molecular Design|March 15, 2017
ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugsAnn E Cleves, Ajay N JainPageof 264