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Journal of Chemical Theory and Computation
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January 11, 2014
Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods
Michael N Weaver, Kenneth M Merz, Dongxia Ma, et al.
Current Medicinal Chemistry
|
November 28, 2009
Molecular recognition and drug-lead identification: what can molecular simulations tell us?
Giulia Morra, Alessandro Genoni, Marco A C Neves, et al.
Journal of Chemical Information and Modeling
|
June 28, 2019
Using AMBER18 for Relative Free Energy Calculations
Lin Frank Song, Tai-Sung Lee, Chun Zhu, et al.
Journal of Chemical Education
|
August 25, 2015
Implementation of Protocols To Enable Doctoral Training in Physical and Computational Chemistry of a Blind Graduate Student
Mona S Minkara, Michael N Weaver, Jim Gorske, et al.
Journal of Chemical Information and Modeling
|
February 24, 2025
Computational Chemistry in the Global South: A Latin American Perspective
Sergio Pantano, Luciana Capece, Laura Gagliardi, et al.
Journal of Chemical Theory and Computation
|
February 25, 2025
Computational Chemistry in the Global South: A Latin American Perspective
Sergio Pantano, Luciana Capece, Laura Gagliardi, et al.
Journal of Chemical Theory and Computation
|
September 6, 2018
Generation of Pairwise Potentials Using Multidimensional Data Mining
Zheng Zheng, Jun Pei, Nupur Bansal, et al.
The Journal of Physical Chemistry. A
|
October 6, 2009
AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteins
Duane E Williams, Martin B Peters, Bing Wang, et al.
Journal of Chemical Information and Modeling
|
May 16, 2023
Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications
Thereza A Soares, Zoe Cournia, Kevin Naidoo, et al.
Journal of Natural Products
|
March 7, 2009
Relative configuration of natural products using NMR chemical shifts
Bing Wang, Aaron T Dossey, Spencer S Walse, et al.
Page
of 34
Search research articles
Search
Showing results (181-190 of 332) with videos related to
Sort By:
Page
of 34
Journal of Chemical Theory and Computation
|
January 11, 2014
Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods
Michael N Weaver, Kenneth M Merz, Dongxia Ma, et al.
Current Medicinal Chemistry
|
November 28, 2009
Molecular recognition and drug-lead identification: what can molecular simulations tell us?
Giulia Morra, Alessandro Genoni, Marco A C Neves, et al.
Journal of Chemical Information and Modeling
|
June 28, 2019
Using AMBER18 for Relative Free Energy Calculations
Lin Frank Song, Tai-Sung Lee, Chun Zhu, et al.
Journal of Chemical Education
|
August 25, 2015
Implementation of Protocols To Enable Doctoral Training in Physical and Computational Chemistry of a Blind Graduate Student
Mona S Minkara, Michael N Weaver, Jim Gorske, et al.
Journal of Chemical Information and Modeling
|
February 24, 2025
Computational Chemistry in the Global South: A Latin American Perspective
Sergio Pantano, Luciana Capece, Laura Gagliardi, et al.
Journal of Chemical Theory and Computation
|
February 25, 2025
Computational Chemistry in the Global South: A Latin American Perspective
Sergio Pantano, Luciana Capece, Laura Gagliardi, et al.
Journal of Chemical Theory and Computation
|
September 6, 2018
Generation of Pairwise Potentials Using Multidimensional Data Mining
Zheng Zheng, Jun Pei, Nupur Bansal, et al.
The Journal of Physical Chemistry. A
|
October 6, 2009
AM1 parameters for the prediction of 1H and 13C NMR chemical shifts in proteins
Duane E Williams, Martin B Peters, Bing Wang, et al.
Journal of Chemical Information and Modeling
|
May 16, 2023
Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications
Thereza A Soares, Zoe Cournia, Kevin Naidoo, et al.
Journal of Natural Products
|
March 7, 2009
Relative configuration of natural products using NMR chemical shifts
Bing Wang, Aaron T Dossey, Spencer S Walse, et al.
Page
of 34