Department)of)Chemistry)...

18
Department of Chemistry CC1BY 1 Proteiner du kan regne med Jan H. Jensen Kemisk Ins;tut, Københavns Universitet twi0er: @janhjensen Google+: +JanJensenCopenhagen Youtube: molmodbasics Blog: Molecular Modeling Basics & Proteins and Wave Func;ons Baggrund Ærøbo USA 1986 1 2006 Lektor/Professor KU 2006 1 nu Beregnings(bio)kemiker

Transcript of Department)of)Chemistry)...

Department)of)Chemistry)

CC1BY) 1)

Proteiner(du(kan(regne(med((

Jan)H.)Jensen)Kemisk)Ins;tut,)Københavns)Universitet)

twi0er:)@janhjensen)Google+:)+JanJensenCopenhagen)

Youtube:)molmodbasics)Blog:)Molecular)Modeling)Basics)&)Proteins)and)Wave)Func;ons))

Baggrund(Ærøbo)

USA)1986)1)2006)Lektor/Professor)KU)2006)1)nu)

Beregnings(bio)kemiker)

Department)of)Chemistry)

2)

4JQI)

h]p://www.nobelprize.org/nobel_prizes/chemistry/laureates/)

~40%)af)moderne)lægemidler)binder);l)denne)proteinfamilie)

Proteinstrukturer(er(vig9ge(

Department)of)Chemistry)

3)

Mange(lægemidler(er(molekyler(der(binder(9l(proteiner((

proteinstrukturer)=)hur;gere)lægemiddeludvikling)

Department)of)Chemistry)

4)

Proteinstrukturer(er(svære(at(måle(

Department)of)Chemistry)

5)

Kan(vi(udregne(proteinstrukturer(i(stedet(for(at(måle(dem?(

Department)of)Chemistry)

6)

The)underlying)physical)laws)necessary)for)the)mathema;cal)theory)of)a)large)part)of)physics)and)the)whole)of)chemistry)are)thus)completely)known,)and)the)difficulty)is)only)that)the)exact)applica;on)of)these)laws)leads)to)equa;ons)much)too)complicated)to)be)soluble.))Paul(Dirac,(1929((

i

∂∂t

Ψ = HΨ

The(9meJdependent(Schrödinger(Equa9on((1926)(

Computa9onal(Chemistry(

Department)of)Chemistry)

7)

Molecular(Calculator(molcalc.org)

kvantekemi)på)din)mobiltelefon)

Department)of)Chemistry)

8)

Avogadro(avogadro.openmolecules.net)

Department)of)Chemistry)

9)

Molecular(Workbench(mw.concord.org)

Department)of)Chemistry)

10)

Department)of)Chemistry)

11)

What(is(possible(with(today’s(computers(

Department)of)Chemistry)

12)

h0p://m.socra9ve.com(Room(number(9076(

Hvis);dskridtet)er)1)femtosekund)hvor)mange)skridt)skal)jeg)tage)for)at)simulere)en)process)

der)varer)et)millisecond?))

A.  1)milliard))

B.  1)billion))

C.  1)trillion))

D.  Ved)ikke)

Department)of)Chemistry)

14)

Hvor)mange)par;cle)par)har)vi)i)denne)simula;on?)

A.))

A.  6)

B.  15)

C.  36)

D.  Ved)ikke))

Department)of)Chemistry)

16)

h]p://mmtsb.org/workshops/mmtsb1ctbp_workshop_2009/Tutorials/ChEq_DomainSwap_Tutorial/ChEq_DomainSwap_Tutorial.html)

vandatomerne)er)lige)så)vig;ge)som)proteinatomerne)

Department)of)Chemistry)

17)

INFER)

Min(forskning(

Department)of)Chemistry)

18)

fold.it(

Department)of)Chemistry)

19)fold.it/portal/info/science#folditpub)

Department)of)Chemistry)

20)

Proteiner(du(kan(regne(med((

Jan)H.)Jensen)Kemisk)Ins;tut,)Københavns)Universitet)

twi0er:)@janhjensen)Google+:)+JanJensenCopenhagen)

Youtube:)molmodbasics)Blog:)Molecular)Modeling)Basics)&)Proteins)and)Wave)Func;ons))

Spørgsmål?(Proteinfolding/beregningskemi)

Forskning)Programmering)Universitetet)

…)