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Recent Lab News

Congrats to Sarah Gunasekera for receiving a 2023 Frances Velay Women and Science Research Fellowship
Carlos SimmerlingMarch 17, 2023
Koushik's paper on accelerating MD simulations is accepted at JCTC
Koushik's paper on accelerating MD simulations is accepted at JCTC
Carlos SimmerlingFebruary 16, 2023
Our coronavirus spike structure analysis tool has been accepted to JCIM
Our coronavirus spike structure analysis tool has been accepted to JCIM

Our paper on Dasha’s coronavirus spike analysis tool has been accepted to JCIM.

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Carlos SimmerlingJanuary 26, 2023
High school student Annika Viswesh presents her Simmerling Lab research on COVID-19 at the Spring 2022 ACS National Meeting
High school student Annika Viswesh presents her Simmerling Lab research on COVID-19 at the Spring 2022 ACS National Meeting
Carlos SimmerlingMay 27, 2022
Darya Stepanenko received a travel award from The Protein Society
Darya Stepanenko received a travel award from The Protein Society
Carlos SimmerlingMay 18, 2022
Our recent work on accelerating convergence of RNA ensembles is available at JCTC
Our recent work on accelerating convergence of RNA ensembles is available at JCTC
Carlos SimmerlingMay 18, 2022
Amber version 22 is released
Amber version 22 is released
Carlos SimmerlingMay 18, 2022
Congratulations to Dr. Kenneth Lam!
Congratulations to Dr. Kenneth Lam!
Carlos SimmerlingMay 18, 2022
Our new paper on development of a coronavirus sensor is published!
Our new paper on development of a coronavirus sensor is published!
Carlos SimmerlingJanuary 24, 2022
Our COVID-19 research is featured on the cover of JACS
Our COVID-19 research is featured on the cover of JACS
Carlos SimmerlingJanuary 24, 2022
Our new paper on the dynamics of the coronavirus spike is out in JACS!
Our new paper on the dynamics of the coronavirus spike is out in JACS!
Carlos SimmerlingJanuary 24, 2022
Our new paper with Raleigh lab is out!
Our new paper with Raleigh lab is out!
Carlos SimmerlingMarch 29, 2021
ACS Chemical Biology paper on photoactivation published
ACS Chemical Biology paper on photoactivation published
Carlos SimmerlingNovember 4, 2020
Koushik's paper on structure reservoirs is published in JCTC!
Koushik's paper on structure reservoirs is published in JCTC!
Carlos SimmerlingNovember 4, 2020
Congratulations Abby, URECA Researcher of the Month
Congratulations Abby, URECA Researcher of the Month
Lauren RaguetteSeptember 1, 2020
Spotlight on Bernard
Spotlight on Bernard
Lauren RaguetteJuly 1, 2020
Two RCSA Proposals Funded
Two RCSA Proposals Funded
Lauren RaguetteJune 5, 2020
Congratulations Dr Koushik!
Congratulations Dr Koushik!
Carlos SimmerlingMay 8, 2020
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Department of Chemistry
Laufer Center for Physical and Quantitative Biology