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Angewandte Chemie (International Ed. in English)
|
June 6, 2009
The thermodynamic influence of trapped water molecules on a protein-ligand interaction
Christian M Stegmann, Daniel Seeliger, George M Sheldrick, et al.
Biochemistry
|
June 11, 2011
Computer simulations of structure-activity relationships for HERG channel blockers
Lars Boukharta, Henrik Keränen, Anna Stary-Weinzinger, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
Sarah Rauscher, Vytautas Gapsys, Michal J Gajda, et al.
Elife
|
September 2, 2024
Structure and dynamics of cholesterol-mediated aquaporin-0 arrays and implications for lipid rafts
Po-Lin Chiu, Juan D Orjuela, Bert L de Groot, et al.
Current Opinion in Structural Biology
|
August 7, 2002
Structure and function of water channels
Yoshinori Fujiyoshi, Kaoru Mitsuoka, Bert L de Groot, et al.
Journal of Chemical Information and Modeling
|
February 22, 2022
Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open Source Software for Drug Design
Vytautas Gapsys, David F Hahn, Gary Tresadern, et al.
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.
Page
of 20
Search research articles
Search
Showing results (111-120 of 196) with videos related to
Sort By:
Page
of 20
Angewandte Chemie (International Ed. in English)
|
June 6, 2009
The thermodynamic influence of trapped water molecules on a protein-ligand interaction
Christian M Stegmann, Daniel Seeliger, George M Sheldrick, et al.
Biochemistry
|
June 11, 2011
Computer simulations of structure-activity relationships for HERG channel blockers
Lars Boukharta, Henrik Keränen, Anna Stary-Weinzinger, et al.
Journal of Chemical Theory and Computation
|
November 18, 2015
Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
Sarah Rauscher, Vytautas Gapsys, Michal J Gajda, et al.
Elife
|
September 2, 2024
Structure and dynamics of cholesterol-mediated aquaporin-0 arrays and implications for lipid rafts
Po-Lin Chiu, Juan D Orjuela, Bert L de Groot, et al.
Current Opinion in Structural Biology
|
August 7, 2002
Structure and function of water channels
Yoshinori Fujiyoshi, Kaoru Mitsuoka, Bert L de Groot, et al.
Journal of Chemical Information and Modeling
|
February 22, 2022
Pre-Exascale Computing of Protein-Ligand Binding Free Energies with Open Source Software for Drug Design
Vytautas Gapsys, David F Hahn, Gary Tresadern, et al.
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.
Page
of 20