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Biophysical Journal
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December 4, 2003
A computational study of the open and closed forms of the N-lobe human serum transferrin apoprotein
David Rinaldo, Martin J Field
Journal of Computational Chemistry
|
April 18, 2009
Extension of QM/MM docking and its applications to metalloproteins
Art E Cho, David Rinaldo
Chemmedchem
|
January 17, 2018
Specific Noncovalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: QM/MM and Pure QM Modeling of Complexes of the Small-Molecule CD4 Mimetics and HIV-1 gp120
Francesca Moraca, David Rinaldo, Amos B Smith, et al.
The Journal of Chemical Physics
|
December 3, 2008
Density functional localized orbital corrections for transition metals
David Rinaldo, Li Tian, Jeremy N Harvey, et al.
Journal of the American Chemical Society
|
March 1, 2007
Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study
David Rinaldo, Dean M Philipp, Stephen J Lippard, et al.
Journal of Chemical Information and Modeling
|
July 8, 2025
Enabling <i>In-Silico</i> Hit Discovery Workflows Targeting RNA with Small Molecules
Nikita Chopra, Ara M Abramyan, Zeineb Si Chaib, et al.
Journal of Chemical Theory and Computation
|
September 29, 2017
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
Leif D Jacobson, Art D Bochevarov, Mark A Watson, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Biophysical Journal
|
December 4, 2003
A computational study of the open and closed forms of the N-lobe human serum transferrin apoprotein
David Rinaldo, Martin J Field
Journal of Computational Chemistry
|
April 18, 2009
Extension of QM/MM docking and its applications to metalloproteins
Art E Cho, David Rinaldo
Chemmedchem
|
January 17, 2018
Specific Noncovalent Interactions Determine Optimal Structure of a Buried Ligand Moiety: QM/MM and Pure QM Modeling of Complexes of the Small-Molecule CD4 Mimetics and HIV-1 gp120
Francesca Moraca, David Rinaldo, Amos B Smith, et al.
The Journal of Chemical Physics
|
December 3, 2008
Density functional localized orbital corrections for transition metals
David Rinaldo, Li Tian, Jeremy N Harvey, et al.
Journal of the American Chemical Society
|
March 1, 2007
Intermediates in dioxygen activation by methane monooxygenase: a QM/MM study
David Rinaldo, Dean M Philipp, Stephen J Lippard, et al.
Journal of Chemical Information and Modeling
|
July 8, 2025
Enabling <i>In-Silico</i> Hit Discovery Workflows Targeting RNA with Small Molecules
Nikita Chopra, Ara M Abramyan, Zeineb Si Chaib, et al.
Journal of Chemical Theory and Computation
|
September 29, 2017
Automated Transition State Search and Its Application to Diverse Types of Organic Reactions
Leif D Jacobson, Art D Bochevarov, Mark A Watson, et al.
Page
of 1