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Journal of Medicinal Chemistry
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January 5, 2007
Plasma protein binding affinity and its relationship to molecular structure: an in-silico analysis
M Paul Gleeson
Journal of Medicinal Chemistry
|
February 1, 2008
Generation of a set of simple, interpretable ADMET rules of thumb
M Paul Gleeson
Journal of Chemical Information and Modeling
|
May 13, 2009
QM/MM calculations in drug discovery: a useful method for studying binding phenomena?
M Paul Gleeson, Duangkamol Gleeson
Journal of Chemical Information and Modeling
|
May 23, 2009
QM/MM as a tool in fragment based drug discovery. A cross-docking, rescoring study of kinase inhibitors
M Paul Gleeson, Duangkamol Gleeson
Journal of Molecular Graphics & Modelling
|
March 11, 2008
The importance of the domain of applicability in QSAR modeling
Shane Weaver, M Paul Gleeson
Journal of Molecular Graphics & Modelling
|
December 3, 2014
Probing the binding site characteristics of HSA: a combined molecular dynamics and cheminformatics investigation
Prapasiri Pongprayoon, M Paul Gleeson
Current Topics in Medicinal Chemistry
|
February 16, 2011
In-silico ADME models: a general assessment of their utility in drug discovery applications
M Paul Gleeson, Anne Hersey, Supa Hannongbua
Journal of Molecular Modeling
|
September 8, 2012
Computational study of EGFR inhibition: molecular dynamics studies on the active and inactive protein conformations
Napat Songtawee, M Paul Gleeson, Kiattawee Choowongkomon
The Journal of Physical Chemistry. B
|
September 16, 2014
Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculations
Oraphan Phuangsawai, Supa Hannongbua, M Paul Gleeson
Organic & Biomolecular Chemistry
|
January 27, 2021
QM/MM and molecular dynamics investigation of the mechanism of covalent inhibition of TAK1 kinase
Borvornwat Toviwek, Duangkamol Gleeson, M Paul Gleeson
Page
of 6
Search research articles
Search
Showing results (1-10 of 53) with videos related to
Sort By:
Page
of 6
Journal of Medicinal Chemistry
|
January 5, 2007
Plasma protein binding affinity and its relationship to molecular structure: an in-silico analysis
M Paul Gleeson
Journal of Medicinal Chemistry
|
February 1, 2008
Generation of a set of simple, interpretable ADMET rules of thumb
M Paul Gleeson
Journal of Chemical Information and Modeling
|
May 13, 2009
QM/MM calculations in drug discovery: a useful method for studying binding phenomena?
M Paul Gleeson, Duangkamol Gleeson
Journal of Chemical Information and Modeling
|
May 23, 2009
QM/MM as a tool in fragment based drug discovery. A cross-docking, rescoring study of kinase inhibitors
M Paul Gleeson, Duangkamol Gleeson
Journal of Molecular Graphics & Modelling
|
March 11, 2008
The importance of the domain of applicability in QSAR modeling
Shane Weaver, M Paul Gleeson
Journal of Molecular Graphics & Modelling
|
December 3, 2014
Probing the binding site characteristics of HSA: a combined molecular dynamics and cheminformatics investigation
Prapasiri Pongprayoon, M Paul Gleeson
Current Topics in Medicinal Chemistry
|
February 16, 2011
In-silico ADME models: a general assessment of their utility in drug discovery applications
M Paul Gleeson, Anne Hersey, Supa Hannongbua
Journal of Molecular Modeling
|
September 8, 2012
Computational study of EGFR inhibition: molecular dynamics studies on the active and inactive protein conformations
Napat Songtawee, M Paul Gleeson, Kiattawee Choowongkomon
The Journal of Physical Chemistry. B
|
September 16, 2014
Elucidating the origin of the esterase activity of human serum albumin using QM/MM calculations
Oraphan Phuangsawai, Supa Hannongbua, M Paul Gleeson
Organic & Biomolecular Chemistry
|
January 27, 2021
QM/MM and molecular dynamics investigation of the mechanism of covalent inhibition of TAK1 kinase
Borvornwat Toviwek, Duangkamol Gleeson, M Paul Gleeson
Page
of 6