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Journal of Computational Chemistry
|
October 24, 2002
PDDG/PM3 and PDDG/MNDO: improved semiempirical methods
Matthew P Repasky, Jayaraman Chandrasekhar, William L Jorgensen
Journal of Computational Chemistry
|
March 23, 2002
Improved semiempirical heats of formation through the use of bond and group equivalents
Matthew P Repasky, Jayaraman Chandrasekhar, William L Jorgensen
Current Protocols in Bioinformatics
|
April 23, 2008
Flexible ligand docking with Glide
Matthew P Repasky, Mee Shelley, Richard A Friesner
Journal of Computational Chemistry
|
November 25, 2003
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
Ivan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P Repasky, et al.
Journal of Computational Chemistry
|
November 25, 2003
Testing electronic structure methods for describing intermolecular H...H interactions in supramolecular chemistry
Ricard Casadesús, Miquel Moreno, Angels González-Lafont, et al.
Journal of Computer-Aided Molecular Design
|
February 7, 2008
Improving database enrichment through ensemble docking
Shashidhar Rao, Paul C Sanschagrin, Jeremy R Greenwood, et al.
Journal of the American Chemical Society
|
May 29, 2003
Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations
Matthew P Repasky, Cristiano Ruch Werneck Guimarães, Jayaraman Chandrasekhar, et al.
Journal of the American Chemical Society
|
June 5, 2003
Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase
Cristiano Ruch Werneck Guimarães, Matthew P Repasky, Jayaraman Chandrasekhar, et al.
Future Medicinal Chemistry
|
September 20, 2016
AutoQSAR: an automated machine learning tool for best-practice quantitative structure-activity relationship modeling
Steven L Dixon, Jianxin Duan, Ethan Smith, et al.
Journal of Chemical Theory and Computation
|
September 30, 2021
Efficient Exploration of Chemical Space with Docking and Deep Learning
Ying Yang, Kun Yao, Matthew P Repasky, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Journal of Computational Chemistry
|
October 24, 2002
PDDG/PM3 and PDDG/MNDO: improved semiempirical methods
Matthew P Repasky, Jayaraman Chandrasekhar, William L Jorgensen
Journal of Computational Chemistry
|
March 23, 2002
Improved semiempirical heats of formation through the use of bond and group equivalents
Matthew P Repasky, Jayaraman Chandrasekhar, William L Jorgensen
Current Protocols in Bioinformatics
|
April 23, 2008
Flexible ligand docking with Glide
Matthew P Repasky, Mee Shelley, Richard A Friesner
Journal of Computational Chemistry
|
November 25, 2003
Extension of the PDDG/PM3 and PDDG/MNDO semiempirical molecular orbital methods to the halogens
Ivan Tubert-Brohman, Cristiano Ruch Werneck Guimarães, Matthew P Repasky, et al.
Journal of Computational Chemistry
|
November 25, 2003
Testing electronic structure methods for describing intermolecular H...H interactions in supramolecular chemistry
Ricard Casadesús, Miquel Moreno, Angels González-Lafont, et al.
Journal of Computer-Aided Molecular Design
|
February 7, 2008
Improving database enrichment through ensemble docking
Shashidhar Rao, Paul C Sanschagrin, Jeremy R Greenwood, et al.
Journal of the American Chemical Society
|
May 29, 2003
Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformations
Matthew P Repasky, Cristiano Ruch Werneck Guimarães, Jayaraman Chandrasekhar, et al.
Journal of the American Chemical Society
|
June 5, 2003
Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutase
Cristiano Ruch Werneck Guimarães, Matthew P Repasky, Jayaraman Chandrasekhar, et al.
Future Medicinal Chemistry
|
September 20, 2016
AutoQSAR: an automated machine learning tool for best-practice quantitative structure-activity relationship modeling
Steven L Dixon, Jianxin Duan, Ethan Smith, et al.
Journal of Chemical Theory and Computation
|
September 30, 2021
Efficient Exploration of Chemical Space with Docking and Deep Learning
Ying Yang, Kun Yao, Matthew P Repasky, et al.
Page
of 2