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Expert Opinion on Drug Discovery
|
June 1, 2012
Accounting for water molecules in drug design
Sergio E Wong, Felice C Lightstone
The Journal of Physical Chemistry. B
|
July 26, 2006
Competition between intramolecular hydrogen bonds and solvation in phosphorylated peptides: simulations with explicit and implicit solvent
Sergio E Wong, Katarzyna Bernacki, Matthew Jacobson
Expert Opinion on Drug Discovery
|
January 5, 2013
Approaches to efficiently estimate solvation and explicit water energetics in ligand binding: the use of WaterMap
Yue Yang, Felice C Lightstone, Sergio E Wong
Plos One
|
February 6, 2014
Understanding a substrate's product regioselectivity in a family of enzymes: a case study of acetaminophen binding in cytochrome P450s
Yue Yang, Sergio E Wong, Felice C Lightstone
Journal of Chemical Information and Modeling
|
December 24, 2013
Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment
Xiaohua Zhang, Sergio E Wong, Felice C Lightstone
Journal of Computational Chemistry
|
January 25, 2013
Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines
Xiaohua Zhang, Sergio E Wong, Felice C Lightstone
Biopolymers
|
June 12, 2008
Hot-spot residues at the E9/Im9 interface help binding via different mechanisms
Sergio E Wong, Riccardo Baron, J Andrew McCammon
Methods in Molecular Biology (Clifton, N.J.)
|
January 7, 2012
Leveraging structural information for the discovery of new drugs: computational methods
Toan B Nguyen, Sergio E Wong, Felice C Lightstone
Proteins
|
February 3, 2011
Effects of somatic mutations on CDR loop flexibility during affinity maturation
Sergio E Wong, Ben D Sellers, Matthew P Jacobson
Journal of Computational Chemistry
|
May 22, 2003
Methyl dynamics in crystalline amino acids: MD and NMR
David C Chatfield, Alberto Augsten, Cassian D'Cunha, et al.
Page
of 3
Search research articles
Search
Showing results (1-10 of 26) with videos related to
Sort By:
Page
of 3
Expert Opinion on Drug Discovery
|
June 1, 2012
Accounting for water molecules in drug design
Sergio E Wong, Felice C Lightstone
The Journal of Physical Chemistry. B
|
July 26, 2006
Competition between intramolecular hydrogen bonds and solvation in phosphorylated peptides: simulations with explicit and implicit solvent
Sergio E Wong, Katarzyna Bernacki, Matthew Jacobson
Expert Opinion on Drug Discovery
|
January 5, 2013
Approaches to efficiently estimate solvation and explicit water energetics in ligand binding: the use of WaterMap
Yue Yang, Felice C Lightstone, Sergio E Wong
Plos One
|
February 6, 2014
Understanding a substrate's product regioselectivity in a family of enzymes: a case study of acetaminophen binding in cytochrome P450s
Yue Yang, Sergio E Wong, Felice C Lightstone
Journal of Chemical Information and Modeling
|
December 24, 2013
Toward fully automated high performance computing drug discovery: a massively parallel virtual screening pipeline for docking and molecular mechanics/generalized Born surface area rescoring to improve enrichment
Xiaohua Zhang, Sergio E Wong, Felice C Lightstone
Journal of Computational Chemistry
|
January 25, 2013
Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines
Xiaohua Zhang, Sergio E Wong, Felice C Lightstone
Biopolymers
|
June 12, 2008
Hot-spot residues at the E9/Im9 interface help binding via different mechanisms
Sergio E Wong, Riccardo Baron, J Andrew McCammon
Methods in Molecular Biology (Clifton, N.J.)
|
January 7, 2012
Leveraging structural information for the discovery of new drugs: computational methods
Toan B Nguyen, Sergio E Wong, Felice C Lightstone
Proteins
|
February 3, 2011
Effects of somatic mutations on CDR loop flexibility during affinity maturation
Sergio E Wong, Ben D Sellers, Matthew P Jacobson
Journal of Computational Chemistry
|
May 22, 2003
Methyl dynamics in crystalline amino acids: MD and NMR
David C Chatfield, Alberto Augsten, Cassian D'Cunha, et al.
Page
of 3