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Journal of Computational Chemistry
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August 13, 2021
AutoMeKin2021: An open-source program for automated reaction discovery
Emilio Martínez-Núñez, George L Barnes, David R Glowacki, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
September 26, 2013
Unraveling the role of protein dynamics in dihydrofolate reductase catalysis
Louis Y P Luk, J Javier Ruiz-Pernía, William M Dawson, et al.
Science Advances
|
July 3, 2018
Sampling molecular conformations and dynamics in a multiuser virtual reality framework
Michael O'Connor, Helen M Deeks, Edward Dawn, et al.
Science (New York, N.Y.)
|
February 5, 2011
Vibrationally quantum-state-specific reaction dynamics of H atom abstraction by CN radical in solution
Stuart J Greaves, Rebecca A Rose, Thomas A A Oliver, et al.
Plos One
|
July 20, 2021
A community-powered search of machine learning strategy space to find NMR property prediction models
Lars A Bratholm, Will Gerrard, Brandon Anderson, et al.
Faraday Discussions
|
December 13, 2016
Fundamentals: general discussion
Stuart C Althorpe, Vijay Beniwal, Peter G Bolhuis, et al.
Faraday Discussions
|
December 9, 2016
Application to large systems: general discussion
Stuart Althorpe, Gonzalo Angulo, Raymond Dean Astumian, et al.
Faraday Discussions
|
December 9, 2016
Non-adiabatic reactions: general discussion
Stuart C Althorpe, Nandini Ananth, Gonzalo Angulo, et al.
Chemical Science
|
November 11, 2021
Discovery of SARS-CoV-2 M<sup>pro</sup> peptide inhibitors from modelling substrate and ligand binding
H T Henry Chan, Marc A Moesser, Rebecca K Walters, et al.
Faraday Discussions
|
December 9, 2016
New methods: general discussion
Gonzalo Angulo, Raymond Dean Astumian, Vijay Beniwal, et al.
Page
of 8
Search research articles
Search
Showing results (61-70 of 71) with videos related to
Sort By:
Page
of 8
Journal of Computational Chemistry
|
August 13, 2021
AutoMeKin2021: An open-source program for automated reaction discovery
Emilio Martínez-Núñez, George L Barnes, David R Glowacki, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
September 26, 2013
Unraveling the role of protein dynamics in dihydrofolate reductase catalysis
Louis Y P Luk, J Javier Ruiz-Pernía, William M Dawson, et al.
Science Advances
|
July 3, 2018
Sampling molecular conformations and dynamics in a multiuser virtual reality framework
Michael O'Connor, Helen M Deeks, Edward Dawn, et al.
Science (New York, N.Y.)
|
February 5, 2011
Vibrationally quantum-state-specific reaction dynamics of H atom abstraction by CN radical in solution
Stuart J Greaves, Rebecca A Rose, Thomas A A Oliver, et al.
Plos One
|
July 20, 2021
A community-powered search of machine learning strategy space to find NMR property prediction models
Lars A Bratholm, Will Gerrard, Brandon Anderson, et al.
Faraday Discussions
|
December 13, 2016
Fundamentals: general discussion
Stuart C Althorpe, Vijay Beniwal, Peter G Bolhuis, et al.
Faraday Discussions
|
December 9, 2016
Application to large systems: general discussion
Stuart Althorpe, Gonzalo Angulo, Raymond Dean Astumian, et al.
Faraday Discussions
|
December 9, 2016
Non-adiabatic reactions: general discussion
Stuart C Althorpe, Nandini Ananth, Gonzalo Angulo, et al.
Chemical Science
|
November 11, 2021
Discovery of SARS-CoV-2 M<sup>pro</sup> peptide inhibitors from modelling substrate and ligand binding
H T Henry Chan, Marc A Moesser, Rebecca K Walters, et al.
Faraday Discussions
|
December 9, 2016
New methods: general discussion
Gonzalo Angulo, Raymond Dean Astumian, Vijay Beniwal, et al.
Page
of 8