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Interdisciplinary Sciences, Computational Life Sciences
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July 20, 2010
DFT study of a model system for the dealkylation step catalyzed by AlkB
G Andrés Cisneros
Journal of Chemical Theory and Computation
|
November 24, 2015
Application of Gaussian Electrostatic Model (GEM) Distributed Multipoles in the AMOEBA Force Field
G Andrés Cisneros
Chemical Science
|
December 14, 2018
Insight into wild-type and T1372E TET2-mediated 5hmC oxidation using <i>ab initio</i> QM/MM calculations
Hedieh Torabifard, G Andrés Cisneros
The Journal of Chemical Physics
|
November 15, 2022
Polarizable MD and QM/MM investigation of acrylamide-based leads to target the main protease of SARS-CoV-2
Jorge Nochebuena, G Andrés Cisneros
Chemical Science
|
October 10, 2017
Computational investigation of O<sub>2</sub> diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O<sub>2</sub> transport
Hedieh Torabifard, G Andrés Cisneros
Journal of Chemical Theory and Computation
|
July 3, 2025
Comparison of Magnesium and Manganese Ions on the Structural and Catalytic Properties of Human DNA Polymerase Gamma
Arkanil Roy, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2024
Investigation of the stability of D5SIC-DNAM-incorporated DNA duplex in <i>Taq</i> polymerase binary system: a systematic classical MD approach
Tanay Debnath, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2024
Investigation of dynamical flexibility of D5SIC-DNAM inside DNA duplex in aqueous solution: a systematic classical MD approach
Tanay Debnath, G Andrés Cisneros
The Journal of Chemical Physics
|
November 4, 2025
Improvement of the density fitting approach for the Gaussian electrostatic model via the use of the discrete Picard condition in Tychonov regularization
Arkanil Roy, G Andrés Cisneros
Theoretical Chemistry Accounts
|
August 7, 2018
Insights into conformational changes in AlkD bound to DNA with a yatakemycin adduct from computational simulations
Pavel Silvestrov, G Andrés Cisneros
Page
of 17
Search research articles
Search
Showing results (1-10 of 162) with videos related to
Sort By:
Page
of 17
Interdisciplinary Sciences, Computational Life Sciences
|
July 20, 2010
DFT study of a model system for the dealkylation step catalyzed by AlkB
G Andrés Cisneros
Journal of Chemical Theory and Computation
|
November 24, 2015
Application of Gaussian Electrostatic Model (GEM) Distributed Multipoles in the AMOEBA Force Field
G Andrés Cisneros
Chemical Science
|
December 14, 2018
Insight into wild-type and T1372E TET2-mediated 5hmC oxidation using <i>ab initio</i> QM/MM calculations
Hedieh Torabifard, G Andrés Cisneros
The Journal of Chemical Physics
|
November 15, 2022
Polarizable MD and QM/MM investigation of acrylamide-based leads to target the main protease of SARS-CoV-2
Jorge Nochebuena, G Andrés Cisneros
Chemical Science
|
October 10, 2017
Computational investigation of O<sub>2</sub> diffusion through an intra-molecular tunnel in AlkB; influence of polarization on O<sub>2</sub> transport
Hedieh Torabifard, G Andrés Cisneros
Journal of Chemical Theory and Computation
|
July 3, 2025
Comparison of Magnesium and Manganese Ions on the Structural and Catalytic Properties of Human DNA Polymerase Gamma
Arkanil Roy, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2024
Investigation of the stability of D5SIC-DNAM-incorporated DNA duplex in <i>Taq</i> polymerase binary system: a systematic classical MD approach
Tanay Debnath, G Andrés Cisneros
Physical Chemistry Chemical Physics : PCCP
|
February 14, 2024
Investigation of dynamical flexibility of D5SIC-DNAM inside DNA duplex in aqueous solution: a systematic classical MD approach
Tanay Debnath, G Andrés Cisneros
The Journal of Chemical Physics
|
November 4, 2025
Improvement of the density fitting approach for the Gaussian electrostatic model via the use of the discrete Picard condition in Tychonov regularization
Arkanil Roy, G Andrés Cisneros
Theoretical Chemistry Accounts
|
August 7, 2018
Insights into conformational changes in AlkD bound to DNA with a yatakemycin adduct from computational simulations
Pavel Silvestrov, G Andrés Cisneros
Page
of 17