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Molecular Aspects of Medicine|November 10, 2021
The functional role of the hemoglobin-water interfaceMarkus Meuwly, Martin KarplusFaraday Discussions|October 7, 2003
Theoretical investigations of Ferredoxin I: the possible role of internal water molecules on the coupled electron proton transfer reactionMarkus Meuwly, Martin KarplusBiophysical Journal|March 26, 2004
Theoretical investigations on Azotobacter vinelandii ferredoxin I: effects of electron transfer on protein dynamicsMarkus Meuwly, Martin KarplusProteins|August 5, 2005
Study of the insulin dimerization: binding free energy calculations and per-residue free energy decompositionVincent Zoete, Markus Meuwly, Martin KarplusJournal of Molecular Biology|September 3, 2004
A comparison of the dynamic behavior of monomeric and dimeric insulin shows structural rearrangements in the active monomerVincent Zoete, Markus Meuwly, Martin KarplusProteins|April 23, 2004
Investigation of glucose binding sites on insulinVincent Zoete, Markus Meuwly, Martin KarplusThe Journal of Physical Chemistry. B|July 21, 2006
Potential energy surface and molecular dynamics of MbNO: existence of an unsuspected FeON minimumDavid R Nutt, Martin Karplus, Markus MeuwlyBiophysical Chemistry|July 20, 2002
NO rebinding to myoglobin: a reactive molecular dynamics studyMarkus Meuwly, Oren M Becker, Roland Stote, et al.The Journal of Chemical Physics|January 14, 2023
Water dynamics around T0 vs R4 of hemoglobin from local hydrophobicity analysisSeyedeh Maryam Salehi, Marco Pezzella, Adam Willard, et al.Elife|July 13, 2018
Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box sizeKrystel El Hage, Florent Hédin, Prashant K Gupta, et al.Pageof 41