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Rational drug design with computational free energy difference calculation using a modified bond stretch potential
Free accessEuropean Patent Office | 2020| -
Methods and Systems For Calculating Free Energy Differences Using A Modified Bond Stretch Potential
Free accessEuropean Patent Office | 2023| -
METHODS AND SYSTEMS FOR CALCULATING FREE ENERGY DIFFERENCES USING A MODIFIED BOND STRETCH POTENTIAL
Free accessEuropean Patent Office | 2024| -
Efficient sampling of puckering states of monosaccharides through replica exchange with solute tempering and bond softening
American Institute of Physics | 2018| -
Rational drug design with computational free energy difference calculation using a modified bond stretch potential
Free accessEuropean Patent Office | 2023| -
METHODS AND SYSTEMS FOR CALCULATING FREE ENERGY DIFFERENCES USING A MODIFIED BOND STRETCH POTENTIAL
Free accessEuropean Patent Office | 2015| -
METHODS AND SYSTEMS FOR CALCULATING FREE ENERGY DIFFENERNCES USING A MODIFIED BOND STRETCH POTENTIAL
Free accessEuropean Patent Office | 2015| -
Estimación de cierres de ciclos de afinidades de unión relativas y errores
Free accessEuropean Patent Office | 2021| -
Replica Exchange with Solute Scaling: A More Efficient Version of Replica Exchange with Solute Tempering (REST2)
American Chemical Society | 2011| -
Is Ring Breaking Feasible in Relative Binding Free Energy Calculations?
American Chemical Society | 2015| -
CYCLE CLOSURE ESTIMATION OF RELATIVE BINDING AFFINITIES AND ERRORS
Free accessEuropean Patent Office | 2021| -
CYCLE CLOSURE ESTIMATION OF RELATIVE BINDING AFFINITIES AND ERRORS
Free accessEuropean Patent Office | 2020| -
Cycle Closure Estimation of Relative Binding Affinities and Errors
Free accessEuropean Patent Office | 2019| -
Hydrophobic interactions in model enclosures from small to large length scales: non-additivity in explicit and implicit solvent models
National licenceRoyal Society of Chemistry | 2010| -
Sensitivity in Binding Free Energies Due to Protein Reorganization
American Chemical Society | 2016|
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