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January 27, 2006
Multiple mapping method: a novel approach to the sequence-to-structure alignment problem in comparative protein structure modeling
Brajesh K Rai, András Fiser
Journal of Computational Chemistry
|
May 9, 2013
Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression
Brajesh K Rai, Gregory A Bakken
The Journal of Physical Chemistry. B
|
July 21, 2006
Single-atom test of all-atom empirical potentials: Fe in myoglobin
Brajesh K Rai, Earl W Prohofsky, Stephen M Durbin
Scientific Reports
|
February 22, 2023
Low-data interpretable deep learning prediction of antibody viscosity using a biophysically meaningful representation
Brajesh K Rai, James R Apgar, Eric M Bennett
Current Opinion in Chemical Biology
|
June 28, 2011
Structure-based druggability assessment--identifying suitable targets for small molecule therapeutics
Eric B Fauman, Brajesh K Rai, Enoch S Huang
Journal of Chemical Information and Modeling
|
March 13, 2023
Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?
Emma P Tysinger, Brajesh K Rai, Anton V Sinitskiy
Proteins
|
September 30, 2009
Modeling G protein-coupled receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models: application to H3 antagonists
Brajesh K Rai, Gregory J Tawa, Alan H Katz, et al.
Bioinformatics (Oxford, England)
|
August 25, 2006
MMM: a sequence-to-structure alignment protocol
Brajesh K Rai, Carlos J Madrid-Aliste, J Eduardo Fajardo, et al.
Bioinformatics (Oxford, England)
|
September 8, 2007
Comparative protein structure modeling by combining multiple templates and optimizing sequence-to-structure alignments
Narcis Fernandez-Fuentes, Brajesh K Rai, Carlos J Madrid-Aliste, et al.
Journal of Chemical Information and Modeling
|
October 2, 2019
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations
Brajesh K Rai, Vishnu Sresht, Qingyi Yang, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Proteins
|
January 27, 2006
Multiple mapping method: a novel approach to the sequence-to-structure alignment problem in comparative protein structure modeling
Brajesh K Rai, András Fiser
Journal of Computational Chemistry
|
May 9, 2013
Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression
Brajesh K Rai, Gregory A Bakken
The Journal of Physical Chemistry. B
|
July 21, 2006
Single-atom test of all-atom empirical potentials: Fe in myoglobin
Brajesh K Rai, Earl W Prohofsky, Stephen M Durbin
Scientific Reports
|
February 22, 2023
Low-data interpretable deep learning prediction of antibody viscosity using a biophysically meaningful representation
Brajesh K Rai, James R Apgar, Eric M Bennett
Current Opinion in Chemical Biology
|
June 28, 2011
Structure-based druggability assessment--identifying suitable targets for small molecule therapeutics
Eric B Fauman, Brajesh K Rai, Enoch S Huang
Journal of Chemical Information and Modeling
|
March 13, 2023
Can We Quickly Learn to "Translate" Bioactive Molecules with Transformer Models?
Emma P Tysinger, Brajesh K Rai, Anton V Sinitskiy
Proteins
|
September 30, 2009
Modeling G protein-coupled receptors for structure-based drug discovery using low-frequency normal modes for refinement of homology models: application to H3 antagonists
Brajesh K Rai, Gregory J Tawa, Alan H Katz, et al.
Bioinformatics (Oxford, England)
|
August 25, 2006
MMM: a sequence-to-structure alignment protocol
Brajesh K Rai, Carlos J Madrid-Aliste, J Eduardo Fajardo, et al.
Bioinformatics (Oxford, England)
|
September 8, 2007
Comparative protein structure modeling by combining multiple templates and optimizing sequence-to-structure alignments
Narcis Fernandez-Fuentes, Brajesh K Rai, Carlos J Madrid-Aliste, et al.
Journal of Chemical Information and Modeling
|
October 2, 2019
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein-Ligand Complexes using ab Initio Calculations
Brajesh K Rai, Vishnu Sresht, Qingyi Yang, et al.
Page
of 2