IIPCzechRepublic:AcademyofScienceAndyLiu’19

DepartmentofChemicalandBiologicalEngineering

Nové Hrady andInstituteofMicrobiology•ExperimentalandModelingresearch•ParticipationintheannualVisegrad ConferenceandSummerSchool•GreatopportunitiestomeetresearchersfromEurope

TheCastle:bothlaboratoryandresidentialhall

ThetownandInstitute

Workresponsibilities•Reactionmechanismofhuman3’-phosphoadenosine5’-phosphosulfatesynthaseI(hPAPSSI)•ComputationalChemistry:ahybridquantummechanicsandmolecularmechanicsapproach(QM/MM)•AnalyticaltransitionstructuresearchusingSchrödingerBiologicalSuite StructureofhPAPSSI

BonafideTransitionstructure

Abriefdescriptionofcomputationchemistry• Usingmodelsofvaryingdegreesofaccuracytopredict

andunderstandmolecularbehavioratpico-secondtonano-secondscale

Impactontheorganization•Elucidationofbonafidetransitionstructure•Generatedadetailedapplicationnoteforcontinuationofthesameproject

•IntroducedapackagethatwasrarelyusedattheInstituteforfuturework(AmbermoleculardynamicsusingQM/MM)

•WinnerofBestPresentationAwardattheconclusionofsummerschool

Interactionbetweenligandandcriticalproteinresidues

VisegradConference•Posterpresentations

•Lecturesonexperimentalandmodelingwork

•NetworkingwithscholarsandresearchersalloverEuropeandbeyond

Mostvaluableexperience:meetingpeoplefromallovertheWorld

TravelinginEurope

Vienna Prague VaticanCity

Impactonacademicsandcareerpath•Openedupanewwayformeinthefieldoftheoreticalstudies•Reaffirmedmydecisiontopursueacareerinmedicine•Motivatedmetostudybiologyinamorequantitativemanner

Sideprojectusingskillslearntfromwork:peptideembeddedinmembrane

Acknowledgments•ManythankstoProf.RudiEttrich,Prof.DavidReha,PrincetonIIPofficeandsponsorsformakingthisexperiencepossible.

•SpecialthankstoallSummerSchoolstudents,REUstudentsandPrincetonIIPstudentsforthecompanyandwonderfulmemories.