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Communications Chemistry
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April 27, 2023
Automated relative binding free energy calculations from SMILES to ΔΔG
J Harry Moore, Christian Margreitter, Jon Paul Janet, et al.
Biochimica Et Biophysica Acta
|
February 14, 2016
Insights into the function of ion channels by computational electrophysiology simulations
Carsten Kutzner, David A Köpfer, Jan-Philipp Machtens, et al.
Journal of Chemical Information and Modeling
|
March 30, 2022
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design
Carsten Kutzner, Christian Kniep, Austin Cherian, et al.
Journal of Molecular Biology
|
March 30, 2006
Alternate structural conformations of Streptococcus pneumoniae hyaluronan lyase: insights into enzyme flexibility and underlying molecular mechanism of action
Daniel J Rigden, James E Littlejohn, Harshad V Joshi, et al.
Science (New York, N.Y.)
|
October 18, 2014
Ion permeation in K⁺ channels occurs by direct Coulomb knock-on
David A Köpfer, Chen Song, Tim Gruene, et al.
Glia
|
April 26, 2013
Phosphorylation of rat aquaporin-4 at Ser(111) is not required for channel gating
Mette Assentoft, Shreyas Kaptan, Robert A Fenton, et al.
The Journal of Biological Chemistry
|
July 21, 2016
Aquaporin 4 as a NH3 Channel
Mette Assentoft, Shreyas Kaptan, Hans-Peter Schneider, et al.
Molecular Membrane Biology
|
March 2, 2013
The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site
Sören J Wacker, Camilo Aponte-Santamaría, Per Kjellbom, et al.
Communications Chemistry
|
January 25, 2023
Accurate absolute free energies for ligand-protein binding based on non-equilibrium approaches
Vytautas Gapsys, Ahmet Yildirim, Matteo Aldeghi, et al.
Journal of Chemical Theory and Computation
|
May 31, 2018
Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Tomas Bastys, Vytautas Gapsys, Nadezhda T Doncheva, et al.
Page
of 21
Search research articles
Search
Showing results (121-130 of 202) with videos related to
Sort By:
Page
of 21
Communications Chemistry
|
April 27, 2023
Automated relative binding free energy calculations from SMILES to ΔΔG
J Harry Moore, Christian Margreitter, Jon Paul Janet, et al.
Biochimica Et Biophysica Acta
|
February 14, 2016
Insights into the function of ion channels by computational electrophysiology simulations
Carsten Kutzner, David A Köpfer, Jan-Philipp Machtens, et al.
Journal of Chemical Information and Modeling
|
March 30, 2022
GROMACS in the Cloud: A Global Supercomputer to Speed Up Alchemical Drug Design
Carsten Kutzner, Christian Kniep, Austin Cherian, et al.
Journal of Molecular Biology
|
March 30, 2006
Alternate structural conformations of Streptococcus pneumoniae hyaluronan lyase: insights into enzyme flexibility and underlying molecular mechanism of action
Daniel J Rigden, James E Littlejohn, Harshad V Joshi, et al.
Science (New York, N.Y.)
|
October 18, 2014
Ion permeation in K⁺ channels occurs by direct Coulomb knock-on
David A Köpfer, Chen Song, Tim Gruene, et al.
Glia
|
April 26, 2013
Phosphorylation of rat aquaporin-4 at Ser(111) is not required for channel gating
Mette Assentoft, Shreyas Kaptan, Robert A Fenton, et al.
The Journal of Biological Chemistry
|
July 21, 2016
Aquaporin 4 as a NH3 Channel
Mette Assentoft, Shreyas Kaptan, Hans-Peter Schneider, et al.
Molecular Membrane Biology
|
March 2, 2013
The identification of novel, high affinity AQP9 inhibitors in an intracellular binding site
Sören J Wacker, Camilo Aponte-Santamaría, Per Kjellbom, et al.
Communications Chemistry
|
January 25, 2023
Accurate absolute free energies for ligand-protein binding based on non-equilibrium approaches
Vytautas Gapsys, Ahmet Yildirim, Matteo Aldeghi, et al.
Journal of Chemical Theory and Computation
|
May 31, 2018
Consistent Prediction of Mutation Effect on Drug Binding in HIV-1 Protease Using Alchemical Calculations
Tomas Bastys, Vytautas Gapsys, Nadezhda T Doncheva, et al.
Page
of 21