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Journal of Chemical Theory and Computation
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November 26, 2015
Asymptotic Expansion for Electrostatic Embedding Integrals in QM/MM Calculations
Aurelio Alvarez-Ibarra, Andreas M Köster, Rui Zhang, et al.
Interdisciplinary Sciences, Computational Life Sciences
|
July 20, 2010
Exploring the molecular origin of the high selectivity of multisubunit RNA polymerases by stochastic kinetic models
Rui Zhu, Aurélien de la Lande, Rui Zhang, et al.
Neuropsychologia
|
May 3, 2026
Reduced distractor filtering with age: Evidence from the distractor positivity ERP
Rosa E Torres, Christine Salahub, Karen L Campbell, et al.
Health & Social Care in the Community
|
March 25, 2017
Peer bullying in seniors' subsidised apartment communities in Saskatoon, Canada: participatory research
Donna Goodridge, Jennifer Heal-Salahub, Elliot PausJenssen, et al.
The Journal of Physical Chemistry. B
|
November 9, 2010
Structure, dynamics, and energetics of lysobisphosphatidic acid (LBPA) isomers
A Goursot, T Mineva, C Bissig, et al.
Archives of Biochemistry and Biophysics
|
June 28, 2015
Progress and challenges in simulating and understanding electron transfer in proteins
Aurélien de la Lande, Natacha Gillet, Shufeng Chen, et al.
Journal of Computational Chemistry
|
March 11, 2004
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study
Nohad Gresh, Sherif A Kafafi, Jean-François Truchon, et al.
ACS Omega
|
January 21, 2020
Theoretical Investigation of 6-Mercaptopurine Isomers' Adsorption on the Au(001) Surface: Revealing the Fate of Different Isomers
Hongjiang Ren, Xinwei Cao, Yahuang Zhang, et al.
Computation (Basel, Switzerland)
|
August 1, 2022
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon
Mosayeb Naseri, Jaafar Jalilian, Dennis R Salahub, et al.
Journal of Computational Chemistry
|
February 15, 2024
Reinforcement learning for in silico determination of adsorbate-substrate structures
Maicon Pierre Lourenço, Jiří Hostaš, Colin Bellinger, et al.
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Search research articles
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Showing results (41-50 of 98) with videos related to
Sort By:
Page
of 10
Journal of Chemical Theory and Computation
|
November 26, 2015
Asymptotic Expansion for Electrostatic Embedding Integrals in QM/MM Calculations
Aurelio Alvarez-Ibarra, Andreas M Köster, Rui Zhang, et al.
Interdisciplinary Sciences, Computational Life Sciences
|
July 20, 2010
Exploring the molecular origin of the high selectivity of multisubunit RNA polymerases by stochastic kinetic models
Rui Zhu, Aurélien de la Lande, Rui Zhang, et al.
Neuropsychologia
|
May 3, 2026
Reduced distractor filtering with age: Evidence from the distractor positivity ERP
Rosa E Torres, Christine Salahub, Karen L Campbell, et al.
Health & Social Care in the Community
|
March 25, 2017
Peer bullying in seniors' subsidised apartment communities in Saskatoon, Canada: participatory research
Donna Goodridge, Jennifer Heal-Salahub, Elliot PausJenssen, et al.
The Journal of Physical Chemistry. B
|
November 9, 2010
Structure, dynamics, and energetics of lysobisphosphatidic acid (LBPA) isomers
A Goursot, T Mineva, C Bissig, et al.
Archives of Biochemistry and Biophysics
|
June 28, 2015
Progress and challenges in simulating and understanding electron transfer in proteins
Aurélien de la Lande, Natacha Gillet, Shufeng Chen, et al.
Journal of Computational Chemistry
|
March 11, 2004
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study
Nohad Gresh, Sherif A Kafafi, Jean-François Truchon, et al.
ACS Omega
|
January 21, 2020
Theoretical Investigation of 6-Mercaptopurine Isomers' Adsorption on the Au(001) Surface: Revealing the Fate of Different Isomers
Hongjiang Ren, Xinwei Cao, Yahuang Zhang, et al.
Computation (Basel, Switzerland)
|
August 1, 2022
Hexatetra-Carbon: A Novel Two-Dimensional Semiconductor Allotrope of Carbon
Mosayeb Naseri, Jaafar Jalilian, Dennis R Salahub, et al.
Journal of Computational Chemistry
|
February 15, 2024
Reinforcement learning for in silico determination of adsorbate-substrate structures
Maicon Pierre Lourenço, Jiří Hostaš, Colin Bellinger, et al.
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of 10