Robert Raddi

PostDoc @UCSF
Previously @TempleUniv @voelzlab

[Robert Raddi @RMRaddi]

Here's another... Check it out! https://t.co/VwDJr2VTxz

[Robert Raddi @RMRaddi]

Check it out!
Model Selection Using Replica Averaging with Bayesian Inference of Conformational Populations
https://t.co/jSIkoyRppZ

[Robert Raddi @RMRaddi]

Check it out!
Simple Method to Optimize the Spacing and Number of Alchemical Intermediates in Expanded Ensemble Free Energy Calculations
https://t.co/M0715X0fWN

[Sami Dadashi | PhD @SomaiyehD]

Check out the new preprint from Volez Lab:

@RMRaddi
High-resolution tuning of non-natural and cyclic peptide folding landscapes against NMR measurements using Markov models and Bayesian Inference of Conformational Populations | ChemRxiv - https://t.co/XsNPNtMWOP

[Sami Dadashi | PhD @SomaiyehD]

Check out our new preprint on interfacial dielectric constant for buried interfaces! We've derived an expression and validated it using sum frequency and Fresnel factor calculations.
https://t.co/MZJZv3miw7

[Robert Raddi @RMRaddi]

Need better Karplus parameters for your system? Don't have a crystal structure? Nbd.
#computationalbiology ppl @BiophysicalSoc #BPS2025📢 Checkout the new preprint from the @voelzlab.
Automatic Forward Model Parameterization w/ BICePs
https://t.co/hz7Y4lqSJm

[Juli Gibbs @JuliGibbsYEG]

New paper alert! https://t.co/S9zyicM2W5

Shyam and Ben's collaboration with Somaiyeh and co in the Borguet lab is out! @ualbertachem @shyam_parshotam @RehlBenjamin

[Robert Raddi @RMRaddi]

Tim and I are both seeking job/post-doc opportunities! Contact info: https://t.co/kOxCxXoFsA

[Robert Raddi @RMRaddi]

📢 New preprint on Chignolin mini-protein force field accuracy with Markov State Models: https://t.co/ENh0kYEX2Y. Follow-up introduces Bayesian model selection for force fields: https://t.co/CyqZUVq0Oy.

#compchem #forcefields #MDsimulations #proteinfolding

[Robert Raddi @RMRaddi]

Checkout our latest preprint!
Keywords: Force field optimization; Bayesian inference; Variational minimization of the BICePs score; ensemble averaged data; treatment of random & systematic error

https://t.co/YxfoHTbrVm

[Robert Raddi @RMRaddi]

Checkout our preprint: Model selection using replica averaging with Bayesian inference of conformational populations https://t.co/8LulklOQao

Keywords: Bayesian inference | maximum entropy | force fields | model selection | chignolin |
@voelzlab @yunhuige

[JCIM & JCTC Journals @JCIM_JCTC]

BICePs v2.0: Software for Ensemble Reweighting Using Bayesian Inference of Conformational Populations #cheminformatics
https://t.co/TsU7t4UHiB
@RMRaddi @yunhuige @voelzlab
Vol63 Issue8 #JCIM #compchem