Publications by authors named "Matthew Paul Gleeson"

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Computational investigation of the radical-mediated mechanism of formation of difluoro methyl oxindoles: Elucidation of the reaction selectivity and yields.
Thanachon Somnarin, Pacharaporn Krawmanee, Matthew Paul Gleeson, Duangkamol Gleeson

J Comput Chem· February 2023

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Towards reproducible computational drug discovery.
Nalini Schaduangrat, Samuel Lampa, Saw Simeon, Matthew Paul Gleeson, Ola Spjuth

J Cheminform· January 2020

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Investigation of Factors Affecting the Performance of in silico Volume Distribution QSAR Models for Human, Rat, Mouse, Dog & Monkey.
Saw Simeon, Dino Montanari, Matthew Paul Gleeson

Mol Inform· October 2019

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In silico identification and in vitro validation of nogalamycin N-oxide (NSC116555) as a potent anticancer compound against non-small-cell lung cancer cells.
Phongphat Obounchoey, Lueacha Tabtimmai, Praphasri Suphakun, Kannika Thongkhao, Chatchakorn Eurtivong, Matthew Paul Gleeson

J Cell Biochem· March 2019

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Design, synthesis, and evaluation of the anticancer activity of 2-amino-aryl-7-aryl-benzoxazole compounds.
Patcharaporn Khajondetchairit, Oraphan Phuangsawai, Praphasri Suphakun, Siriruk Rattanabunyong, Kiattawee Choowongkomon, Matthew Paul Gleeson

Chem Biol Drug Des· November 2017

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Towards Predicting the Cytochrome P450 Modulation: From QSAR to Proteochemometric Modeling.
Watshara Shoombuatong, Philip Prathipati, Veda Prachayasittikul, Nalini Schaduangrat, Aijaz Ahmad Malik, Matthew Paul Gleeson

Curr Drug Metab· July 2017

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Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.
Matthew Paul Gleeson, Dino Montanari

Expert Opin Drug Metab Toxicol· November 2012

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Insight into the reaction mechanism of cis,cis-muconate lactonizing enzymes: a DFT QM/MM study.
Tuanjai Somboon, Matthew Paul Gleeson, Supa Hannongbua

J Mol Model· February 2012

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Application of drug efficiency index in drug discovery: a strategy towards low therapeutic dose.
Dino Montanari, Elisabetta Chiarparin, Matthew Paul Gleeson, Simone Braggio, Raffaele Longhi

Expert Opin Drug Discov· September 2011

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Molecular dynamics investigation of psalmopeotoxin I. Probing the relationship between 3D structure, anti-malarial activity and thermal stability.
Matthew Paul Gleeson, Songpon Deechongkit, Somsak Ruchirawat

J Mol Model· April 2011

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Probing the structural and electronic factors affecting the adsorption and reactivity of alkenes in acidic zeolites using DFT calculations and multivariate statistical methods.
Duangkamol Tantanak, Jumras Limtrakul, Matthew Paul Gleeson

J Chem Inf Model· December 2005

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