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Biophysical Chemistry|October 9, 2020
Using quantum chemistry to estimate chemical shifts in biomoleculesDavid A CaseThe Journal of Physical Chemistry. B|July 8, 2009
Absolute hydration entropies of alkali metal ions from molecular dynamics simulationsJens Carlsson, Johan AqvistPhysical Chemistry Chemical Physics : PCCP|November 23, 2006
Calculations of solute and solvent entropies from molecular dynamics simulationsJens Carlsson, Johan AqvistThe Journal of Physical Chemistry. B|July 21, 2006
Absolute and relative entropies from computer simulation with applications to ligand bindingJens Carlsson, Johan AqvistCurrent Opinion in Structural Biology|June 7, 2024
Structure-based virtual screening of vast chemical space as a starting point for drug discoveryJens Carlsson, Andreas LuttensBMC Bioinformatics|October 11, 2008
Homology modelling of protein-protein complexes: a simple method and its possibilities and limitationsGuillaume Launay, Thomas SimonsonBiochemistry|November 27, 2008
Binding of tetracyclines to elongation factor Tu, the Tet repressor, and the ribosome: a molecular dynamics simulation studyAlexey Aleksandrov, Thomas SimonsonProtein Engineering, Design & Selection : PEDS|October 25, 2023
Enzyme redesign and genetic code expansionVaitea Opuu, Thomas SimonsonThe Journal of Physical Chemistry. B|July 21, 2006
A residue-pairwise generalized born scheme suitable for protein design calculationsGeorgios Archontis, Thomas SimonsonPageof 39