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Nature Reviews. Drug Discovery
|
March 2, 2011
Probing the links between in vitro potency, ADMET and physicochemical parameters
M Paul Gleeson, Anne Hersey, Dino Montanari, et al.
Journal of Molecular Graphics & Modelling
|
June 26, 2016
QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus niger
Warot Chotpatiwetchkul, Nathjanan Jongkon, Supa Hannongbua, et al.
The Journal of Organic Chemistry
|
March 7, 2019
Theoretical Investigation of the Enantioselective [4 + 2] Cycloaddition Reaction of o-Hydroxystyrene and Azlactone
Napassorn Jensupakarn, M Paul Gleeson, Duangkamol Gleeson, et al.
Organic & Biomolecular Chemistry
|
August 4, 2012
Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies
Duangkamol Gleeson, Ben Tehan, M Paul Gleeson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 8, 2018
QM/MM Investigation for Protonation States in a Bilin Reductase PcyA-Biliverdin IXα Complex
Eri Iijima, M Paul Gleeson, Masaki Unno, et al.
Organic & Biomolecular Chemistry
|
June 23, 2017
Exploring the catalytic mechanism of dihydropteroate synthase: elucidating the differences between the substrate and inhibitor
Warot Chotpatiwetchkul, Kanokthip Boonyarattanakalin, Duangkamol Gleeson, et al.
Chemical Research in Toxicology
|
January 14, 2014
Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domain
Malinee Promkatkaew, Duangkamol Gleeson, Supa Hannongbua, et al.
Bioorganic & Medicinal Chemistry Letters
|
September 21, 2017
Synthesis and evaluation of the NSCLC anti-cancer activity and physical properties of 4-aryl-N-phenylpyrimidin-2-amines
Borvornwat Toviwek, Praphasri Suphakun, Kiattawee Choowongkomon, et al.
Journal of Molecular Modeling
|
July 31, 2014
Insight into HIV-1 reverse transcriptase-aptamer interaction from molecular dynamics simulations
Niran Aeksiri, Napat Songtawee, M Paul Gleeson, et al.
Chemistryopen
|
June 23, 2017
Small-Molecule Dengue Virus Co-imprinting and Its Application as an Electrochemical Sensor
Wannisa Sukjee, Chompoonuch Tancharoen, Pa-Thai Yenchitsomanus, et al.
Page
of 6
Search research articles
Search
Showing results (21-30 of 53) with videos related to
Sort By:
Page
of 6
Nature Reviews. Drug Discovery
|
March 2, 2011
Probing the links between in vitro potency, ADMET and physicochemical parameters
M Paul Gleeson, Anne Hersey, Dino Montanari, et al.
Journal of Molecular Graphics & Modelling
|
June 26, 2016
QM/MM investigation of the reaction rates of substrates of 2,3-dimethylmalate lyase: A catabolic protein isolated from Aspergillus niger
Warot Chotpatiwetchkul, Nathjanan Jongkon, Supa Hannongbua, et al.
The Journal of Organic Chemistry
|
March 7, 2019
Theoretical Investigation of the Enantioselective [4 + 2] Cycloaddition Reaction of o-Hydroxystyrene and Azlactone
Napassorn Jensupakarn, M Paul Gleeson, Duangkamol Gleeson, et al.
Organic & Biomolecular Chemistry
|
August 4, 2012
Evaluating the enthalpic contribution to ligand binding using QM calculations: effect of methodology on geometries and interaction energies
Duangkamol Gleeson, Ben Tehan, M Paul Gleeson, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
May 8, 2018
QM/MM Investigation for Protonation States in a Bilin Reductase PcyA-Biliverdin IXα Complex
Eri Iijima, M Paul Gleeson, Masaki Unno, et al.
Organic & Biomolecular Chemistry
|
June 23, 2017
Exploring the catalytic mechanism of dihydropteroate synthase: elucidating the differences between the substrate and inhibitor
Warot Chotpatiwetchkul, Kanokthip Boonyarattanakalin, Duangkamol Gleeson, et al.
Chemical Research in Toxicology
|
January 14, 2014
Skin sensitization prediction using quantum chemical calculations: a theoretical model for the S(N)Ar domain
Malinee Promkatkaew, Duangkamol Gleeson, Supa Hannongbua, et al.
Bioorganic & Medicinal Chemistry Letters
|
September 21, 2017
Synthesis and evaluation of the NSCLC anti-cancer activity and physical properties of 4-aryl-N-phenylpyrimidin-2-amines
Borvornwat Toviwek, Praphasri Suphakun, Kiattawee Choowongkomon, et al.
Journal of Molecular Modeling
|
July 31, 2014
Insight into HIV-1 reverse transcriptase-aptamer interaction from molecular dynamics simulations
Niran Aeksiri, Napat Songtawee, M Paul Gleeson, et al.
Chemistryopen
|
June 23, 2017
Small-Molecule Dengue Virus Co-imprinting and Its Application as an Electrochemical Sensor
Wannisa Sukjee, Chompoonuch Tancharoen, Pa-Thai Yenchitsomanus, et al.
Page
of 6