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The Journal of Physical Chemistry. A
|
August 16, 2012
Crown complexation of protonated amino acids: influence on IRMPD spectra
Corey N Stedwell, Johan F Galindo, Kerim Gulyuz, et al.
The Journal of Physical Chemistry. B
|
November 12, 2024
Nonadiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER Implementation
Dustin A Tracy, Sebastian Fernandez-Alberti, Johan Fabian Galindo, et al.
Biochemistry
|
January 24, 2015
Interpretation of pH-activity profiles for acid-base catalysis from molecular simulations
Thakshila Dissanayake, Jason M Swails, Michael E Harris, et al.
Chemical Science
|
October 29, 2015
Oxygen diffusion pathways in a cofactor-independent dioxygenase
Natali V Di Russo, Heather L Condurso, Kunhua Li, et al.
The Journal of Physical Chemistry. A
|
May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package
Gustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.
Journal of Chemical Theory and Computation
|
April 11, 2025
LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical Shifts
Mikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, et al.
The Journal of Physical Chemistry. A
|
March 7, 2009
Theoretical studies of short polyproline systems: recalibration of a molecular ruler
Elena Dolghih, Wilfredo Ortiz, Seonah Kim, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
Bill R Miller, T Dwight McGee, Jason M Swails, et al.
Proteins
|
August 18, 2010
Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase
Luciana Capece, Mehrnoosh Arrar, Adrian E Roitberg, et al.
Journal of the American Society for Mass Spectrometry
|
April 19, 2017
Investigating Differences in Gas-Phase Conformations of 25-Hydroxyvitamin D3 Sodiated Epimers using Ion Mobility-Mass Spectrometry and Theoretical Modeling
Christopher D Chouinard, Vinícius Wilian D Cruzeiro, Christopher R Beekman, et al.
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of 13
Search research articles
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Showing results (81-90 of 121) with videos related to
Sort By:
Page
of 13
The Journal of Physical Chemistry. A
|
August 16, 2012
Crown complexation of protonated amino acids: influence on IRMPD spectra
Corey N Stedwell, Johan F Galindo, Kerim Gulyuz, et al.
The Journal of Physical Chemistry. B
|
November 12, 2024
Nonadiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER Implementation
Dustin A Tracy, Sebastian Fernandez-Alberti, Johan Fabian Galindo, et al.
Biochemistry
|
January 24, 2015
Interpretation of pH-activity profiles for acid-base catalysis from molecular simulations
Thakshila Dissanayake, Jason M Swails, Michael E Harris, et al.
Chemical Science
|
October 29, 2015
Oxygen diffusion pathways in a cofactor-independent dioxygenase
Natali V Di Russo, Heather L Condurso, Kunhua Li, et al.
The Journal of Physical Chemistry. A
|
May 25, 2007
Implementation of the SCC-DFTB method for hybrid QM/MM simulations within the amber molecular dynamics package
Gustavo de M Seabra, Ross C Walker, Marcus Elstner, et al.
Journal of Chemical Theory and Computation
|
April 11, 2025
LEGOLAS: A Machine Learning Method for Rapid and Accurate Predictions of Protein NMR Chemical Shifts
Mikayla Y Darrows, Dimuthu Kodituwakku, Jinze Xue, et al.
The Journal of Physical Chemistry. A
|
March 7, 2009
Theoretical studies of short polyproline systems: recalibration of a molecular ruler
Elena Dolghih, Wilfredo Ortiz, Seonah Kim, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
Bill R Miller, T Dwight McGee, Jason M Swails, et al.
Proteins
|
August 18, 2010
Substrate stereo-specificity in tryptophan dioxygenase and indoleamine 2,3-dioxygenase
Luciana Capece, Mehrnoosh Arrar, Adrian E Roitberg, et al.
Journal of the American Society for Mass Spectrometry
|
April 19, 2017
Investigating Differences in Gas-Phase Conformations of 25-Hydroxyvitamin D3 Sodiated Epimers using Ion Mobility-Mass Spectrometry and Theoretical Modeling
Christopher D Chouinard, Vinícius Wilian D Cruzeiro, Christopher R Beekman, et al.
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of 13