prof. dr. ir. An Ghysels
- ORCID iD
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0000-0003-0015-2605
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- Journal Article
- A1
- open access
Estimating full path lengths and kinetics from partial path transition interface sampling simulations
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- Conference Paper
- C3
- open access
Alchemical move : chasing rabbits, trusting turtles
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- Conference Paper
- C3
- open access
The Wobble model : an intuitive approach to reconstructing arrival time distributions
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Exact kinetics of drug permeation using transition interface sampling
(2025) -
trypsin-benzamidine MD
(2025) -
- Journal Article
- A1
- open access
Path sampling challenges in large biomolecular systems : RETIS and REPPTIS for ABL-imatinib kinetics
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- Conference Paper
- C3
- open access
Exact kinetics of amino acids through chiral phospholipid membranes via path sampling
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- Conference Paper
- C3
- open access
Alchemical move : chasing rabbits, trusting turtles
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- Conference Paper
- C3
- open access
Extending path memory to improve kinetics calculations in rare molecular processes
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- Journal Article
- A1
- open access
Exact kinetics of drug permeation using transition interface sampling