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Using Free Computational Resources To Illustrate the Drug Design Process in an Undergraduate Medicinal Chemistry Course

https://doi.org/10.1021/ed500195d
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Education of medicinal chemists in departments of medicinal chemistry (U.S.A.)
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Using computer simulations to enhance conceptual change: The roles of constructivist instruction and student epistemological beliefs
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Homology Modeling
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Bioinformatics for Vaccinology
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Protein structure in context: The molecular landscape of angiogenesis
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
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Optimization of parameters for semiempirical methods I. Method
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QMEAN: A comprehensive scoring function for model quality assessment
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Basic Local Alignment Search Tool
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Using Technology to Improve Student Learning of Statistics
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Improving Differential Evolution Accuracy for Flexible Ligand Docking Using a Multi-solution Strategy
inferredcites →https://doi.org/10.1016/b978-0-12-744481-9.x5000-4openalex-snapshot
The Practice of Medicinal Chemistry
inferredcites →https://doi.org/10.1016/j.bpg.2009.11.005openalex-snapshot
Adverse effects of non-steroidal anti-inflammatory drugs (NSAIDs, aspirin and coxibs) on upper gastrointestinal tract
inferredcites →https://doi.org/10.1016/j.drudis.2012.01.017openalex-snapshot
Reactions and enzymes in the metabolism of drugs and other xenobiotics
inferredcites →https://doi.org/10.1016/s0002-9459(24)01706-6openalex-snapshot
Teaching Medicinal Chemistry to Meet Outcome Objectives for Pharmacy Students
inferredcites →https://doi.org/10.1016/s0969-2126(96)00147-5openalex-snapshot
Phi/Psi-chology: Ramachandran revisited
inferredcites →https://doi.org/10.1021/bi010045sopenalex-snapshot
Structural Analysis of NSAID Binding by Prostaglandin H2 Synthase: Time-Dependent and Time-Independent Inhibitors Elicit Identical Enzyme Conformations
inferredcites →https://doi.org/10.1021/bi1003298openalex-snapshot
Comparison of Cyclooxygenase-1 Crystal Structures: Cross-Talk between Monomers Comprising Cyclooxygenase-1 Homodimers,
inferredcites →https://doi.org/10.1021/cen-v083n032.p055openalex-snapshot
230TH ACS NATIONAL MEETING
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Using Pharmacophore Models To Gain Insight into Structural Binding and Virtual Screening: An Application Study with CDK2 and Human DHFR
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An Alternative Method for the Evaluation of Docking Performance: RSR vs RMSD
inferredcites →https://doi.org/10.1021/ed082p588openalex-snapshot
Medicinal Chemistry and Molecular Modeling: An Integration To Teach Drug Structure–Activity Relationship and the Molecular Basis of Drug Action
inferredcites →https://doi.org/10.1021/ed083p780openalex-snapshot
Computer-Based Conformational Analysis of Acetylcholine and Muscarine Combined with an Overview of the Receptor-Ligand Interaction
inferredcites →https://doi.org/10.1021/ed084p2019openalex-snapshot
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inferredcites →https://doi.org/10.1021/ed100193mopenalex-snapshot
Using the β2-Adrenoceptor for Structure-Based Drug Design
inferredcites →https://doi.org/10.1021/ed200151bopenalex-snapshot
Integrated Teaching of Structure-Based Drug Design and Biopharmaceutics: A Computer-Based Approach
inferredcites →https://doi.org/10.1021/ed300680gopenalex-snapshot
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An Integrated Visualization and Basic Molecular Modeling Laboratory for First-Year Undergraduate Medicinal Chemistry
inferredcites →https://doi.org/10.1021/ja402870kopenalex-snapshot
A Mechanistic Hypothesis for the Aspirin-Induced Switch in Lipid Mediator Production by Cyclooxygenase-2
inferredcites →https://doi.org/10.1021/jm030563wopenalex-snapshot
Conformational Analysis of Drug-Like Molecules Bound to Proteins: An Extensive Study of Ligand Reorganization upon Binding
inferredcites →https://doi.org/10.1021/jm051197eopenalex-snapshot
MolDock: A New Technique for High-Accuracy Molecular Docking
inferredcites →https://doi.org/10.1023/a:1016357811882openalex-snapshot
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
inferredcites →https://doi.org/10.1038/44139openalex-snapshot
Involvement of visual cortex in tactile discrimination of orientation
inferredcites →https://doi.org/10.1038/nrd1032openalex-snapshot
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inferredcites →https://doi.org/10.1093/bib/bbs063openalex-snapshot
State-of-the-art technology in modern computer-aided drug design
inferredcites →https://doi.org/10.1093/bioinformatics/btm404openalex-snapshot
Clustal W and Clustal X version 2.0
inferredcites →https://doi.org/10.1093/bioinformatics/btq662openalex-snapshot
Toward the estimation of the absolute quality of individual protein structure models
inferredcites →https://doi.org/10.1093/nar/gkg520openalex-snapshot
SWISS-MODEL: an automated protein homology-modeling server
inferredcites →https://doi.org/10.1093/nar/gkn187openalex-snapshot
PharmaGist: a webserver for ligand-based pharmacophore detection
inferredcites →https://doi.org/10.1093/nar/gks378openalex-snapshot
ZINCPharmer: pharmacophore search of the ZINC database
inferredcites →https://doi.org/10.1093/toxsci/kfp097openalex-snapshot
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inferredcites →https://doi.org/10.1107/s0108768102003890openalex-snapshot
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inferredcites →https://doi.org/10.1110/ps.051892906openalex-snapshot
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inferredcites →https://doi.org/10.1146/annurev.biophys.32.110601.142532openalex-snapshot
Molecular Recognition and Docking Algorithms
inferredcites →https://doi.org/10.1186/1471-2105-6-21openalex-snapshot
The Molecular Biology Toolkit (MBT): a modular platform for developing molecular visualization applications
inferredcites →https://doi.org/10.1186/1758-2946-1-6openalex-snapshot
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inferredcites →https://doi.org/10.1371/journal.pone.0060470openalex-snapshot
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inferredcites →https://doi.org/10.1371/journal.pone.0062740openalex-snapshot
Molecular Modeling Study for Inhibition Mechanism of Human Chymase and Its Application in Inhibitor Design
inferredcites →https://doi.org/10.1590/s0103-40142005000200019openalex-snapshot
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inferredcites →https://doi.org/10.18433/j3t886openalex-snapshot
Evolution of Nonsteroidal Anti-Inflammatory Drugs (NSAIDs): Cyclooxygenase (COX) Inhibition and Beyond
inferredcites →https://doi.org/10.2174/092986607781483912openalex-snapshot
Ramachandran Plot on The Web (2.0)
inferredcites →https://doi.org/10.2174/156802610790232251openalex-snapshot
Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic
inferredcites →https://doi.org/10.2174/157340911795677602openalex-snapshot
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
inferredcites →https://doi.org/10.3233/isb-00268openalex-snapshot
Detailed Comparison of the Protein-Ligand Docking Efficiencies of GOLD, a Commercial Package and ArgusLab, a Licensable Freeware
inferredcites →https://doi.org/10.4018/978-1-60566-782-9.ch029openalex-snapshot
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inferredcites →https://doi.org/10.5688/aj740101openalex-snapshot
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inferredcites →https://doi.org/10.5688/aj7408147openalex-snapshot
Active-Learning Exercises to Teach Drug-Receptor Interactions in a Medicinal Chemistry Course
inferredcites →https://doi.org/10.5772/2607openalex-snapshot
Virtual Reality in Psychological, Medical and Pedagogical Applications
inferredcites →https://doi.org/10.5772/46411openalex-snapshot
Being There: Understanding the Feeling of Presence in a Synthetic Environment and its Potential for Clinical Change

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