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2025
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Optimal Transport for Free Energy Estimation.
Not available
S-EPMC9940200
|
biostudies-literature
Cite
A general and robust ray-casting-based algorithm for triangulating surfaces at the nanoscale.
Not available
S-EPMC3618509
|
biostudies-literature
Cite
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems.
Not available
S-EPMC6449750
|
biostudies-literature
Cite
Nonequilibrium Binding Free Energy Simulations: Minimizing Dissipation.
Not available
S-EPMC11866923
|
biostudies-literature
Cite
Machine Learning and Enhanced Sampling Simulations for Computing the Potential of Mean Force and Standard Binding Free Energy.
Not available
S-EPMC8389529
|
biostudies-literature
Cite
Patch-Based Ray Tracing in NanoShaper Boosts Molecular Surface Computation.
Not available
S-EPMC12801300
|
biostudies-literature
Cite
Molecular Dynamics and Machine Learning Give Insights on the Flexibility-Activity Relationships in Tyrosine Kinome.
Not available
S-EPMC10428216
|
biostudies-literature
Cite
NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual.
Not available
S-EPMC12308785
|
biostudies-literature
Cite
Allosteric Communication Networks in Proteins Revealed through Pocket Crosstalk Analysis.
Not available
S-EPMC5620967
|
biostudies-literature
Cite
Probabilistic Pocket Druggability Prediction
via
One-Class Learning.
Not available
S-EPMC9278401
|
biostudies-literature
Cite
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