Top Tweets for #transitionpathsampling

The Innovation Materials

@Innov_Materials

about 4 years ago

J Chem. Theory Comput. Identifying a Feasible #TransitionPathway between Two #Conformational States for a #Protein @JCIM_JCTC @Tsinghua_Uni #TransitionPathSampling #ProteinConformation https://t.co/NppyHobkAZ

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The Innovation Materials

@Innov_Materials

over 4 years ago

J Chem. Theory Comput. (ASAP) Method for Identifying Common Features in Reactive #Trajectories of a #TransitionPathSampling Ensemble @JCIM_JCTC #Science #ScienceNews #transitionstate https://t.co/0L1R7ElTRo

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The Journal of Physical Chemistry @JPhysChem

over 4 years ago

An accurate reaction coordinate for an enzyme-catalyzed proton transfer reaction reproduces the free energy barrier and catalytic turnover rate #machinelearning #neuralnetwork #autoencoder #enzymekinetics #transitionpathsampling #QM-MMMD https://t.co/4KQjM0u1Ls

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abhinaw kumar @abhinawkumar21

over 7 years ago

Following the nucleation pathway from disordered liquid to gyroid mesophase https://t.co/OrURp4kJY3 #jcp #transitionpathsampling

abhinawkumar21's tweet photo. Following the nucleation pathway from disordered liquid to gyroid mesophase
https://t.co/OrURp4kJY3
#jcp #transitionpathsampling https://t.co/zz2iIsMxOg

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