Contact and support
Need help, have a question, or want to contact the ResearchHub team?
© 2026 ResearchHub. Built for responsible scholarly connection.
Research graph
References from Structure-based molecular modeling of a novel S-Remiketamine scaffold and derived arylcyclohexanone analogues: NMDA receptor dynamics, MM-GBSA ranking, and CES1-Oriented structural compatibility. Local targets link to admitted publications; unresolved targets remain external evidence.
Allosteric inhibition of NMDA receptors by low dose ketamine
10.1038/s41380-024-02729-9 · 2025 · External reference
Structural basis of heroin and cocaine metabolism by a promiscuous human drug-processing enzyme
10.1038/nsb919 · 2003 · External reference
Scalable algorithms for molecular dynamics simulations on commodity clusters
10.1109/sc.2006.54 · 2006 · External reference
Soft drugs: design principles, success stories, and future perspectives
10.1080/17425255.2020.1777280 · 2020 · External reference
X-ray structures and mechanism of the human serotonin transporter
10.1038/nature17629 · 2016 · External reference
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
10.1038/srep42717 · 2017 · External reference
Structural modification in anesthetic drug development for prodrugs and soft drugs
10.3389/fphar.2022.923353 · 2022 · External reference
BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification
10.1186/s13321-018-0324-5 · 2019 · External reference
Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and Prime/MM-GBSA calculation
10.1002/jcc.21859 · 2011 · External reference
Remifentanil pharmacokinetics and pharmacodynamics. A preliminary appraisal
10.2165/00003088-199529020-00003 · 1995 · External reference
Metabolism of remimazolam in primary human hepatocytes during continuous long-term infusion in a 3-D bioreactor system
10.2147/dddt.s186759 · 2019 · External reference
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy
10.1021/jm0306430 · 2004 · External reference
Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes
10.1021/jm051256o · 2006 · External reference
Development of rapidly metabolized and ultra-short-acting ketamine analogues
10.1213/ane.0000000000000719 · 2015 · External reference
Carboxylesterase 1 and precision pharmacotherapy: pharmacogenetics and nongenetic regulators
10.1124/dmd.119.089680 · 2020 · External reference
Structural insights into mu-opioid receptor activation
10.1038/nature14886 · 2015 · External reference
Structure-activity relationships for ketamine esters as short-acting anaesthetics
10.1016/j.bmc.2013.06.047 · 2013 · External reference
Ketamine and rapid antidepressant action: new treatments and novel synaptic signaling mechanisms
10.1038/s41386-023-01629-w · 2024 · External reference
The VSGB 2.0 model: a next generation energy model for high resolution protein structure modeling
10.1002/prot.23106 · 2011 · External reference
Structure of the human dopamine transporter in complex with cocaine
10.1038/s41586-024-07804-3 · 2024 · External reference
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
10.1007/s10822-013-9644-8 · 2013 · External reference
Structural basis for sigma1 receptor ligand recognition
10.1038/s41594-018-0137-2 · 2018 · External reference
Schrodinger release 2022-4: LigPrep, protein preparation wizard, glide, desmond, and prime
2022 · External reference
Molecular mechanisms of inverse agonism via kappa-opioid receptor-G protein complexes
10.1038/s41589-024-01812-0 · 2025 · External reference
Ketamine alleviates NMDA receptor hypofunction through synaptic trapping
10.1016/j.neuron.2024.06.028 · 2024 · External reference
Inhibition of astrocyte metabolism is not the primary mechanism for anaesthetic hypnosis
10.1186/s40064-016-2734-z · 2016 · External reference
Cryo-EM structure of the open human ether-a-go-go-related K+ channel hERG
10.1016/j.cell.2017.03.048 · 2017 · External reference
Structural basis of ketamine action on human NMDA receptors
10.1038/s41586-021-03769-9 · 2021 · External reference