Workshop III – PRAGUE 2015

Multidisciplinary Workshop number 3

pNMR : from rags to riches
Challenges and potentials of NMR on paramagnetic molecules

4th, 5th July 2015, Prague, Czech Republic


Deadline to register : Friday 26th June 2015  *** REGISTRATION IS NOW CLOSED ***


In line with the 2013 Chamonix event and last year’s Cambridge one, our third annual workshop will this time be held as a satellite event of the EUROMAR Conference.

The 2015 Euromar website is available here.


There are no formal registration fees for this scientific workshop. It is organised as part of the EU Marie Curie Initial Training Network project “pNMR”. However there is a limited number of participant spaces available. Registration can be found on this page further down.

The hotel costs will be at the expense of the participant.


The workshop will be hosted in the same place as the EUROMAR Conference, Prague Congress Centre.

Participants will be accommodated in hotels advised by the Congress Centre on the Euromar website, and a dinner will take place on Saturday 4th July in Prague City Centre at Francouzská restaurace (

FrancouzskaRestaurant Picture

Prague Congress Centre:
The address of the Congress Centre is : 5. kvetna 65, 140 21 Prague 4, Czech Republic

Please use entrance nr. 5 and follow signposting onsite.

Ground Floor

Ground Floor

Registration will take place in the ‘Club foyer’, in front of Club room D.
The workshop will take place in : Club D Room, 1st Floor.

Prague Congress Centre 1st FLOOR MAP blank

First Floor


Saturday, July 4th
Workshop – Part I
10:00 Registration
10:45 Martin Kaupp (TU Berlin)
Welcome address
11:00-12:00 First session – Spin relaxation
Danuta Kruk (University of Warmia and Mazury, Olsztyn, Poland)Theory and modelling of spin relaxation
Shehryar Khan (Stockholm University, Sweden)
Zero-field splitting dynamics from first principles
Syed Awais Rouf (Oulu University, Finland)
NMR Chemical Shifts in Paramagnetic Molecules Using First-Principles Approach
Peter Cherry (University of Bratislava, Slovaquia)
A fully relativistic pNMR implementation
12:00-14:00 Lunch break
14:00-14:45 Second session – Paramagnetic solids
Michael Deschamps (CEHMTI, CNRS, Orleans, France)
Paramagnetic solids and fast magic-angle spinning: a revolution through faster revolutions
Kevin J. Sanders (ENS Lyon, France)
New pNMR methods for paramagnetic materials for batteries
Andrea Bertarello (ENS Lyon, France)
Dynamics and reactivity at the core of a paramagnetic metalloprotein
15:00-15:45 Third session: Battery materials and supported catalysts
Andrew J. Pell (Cambridge University, UK)
Theory and modeling of paramagnetic shifts in battery materials and supported catalysts
Arobendo Mondal (TU Berlin, Germany)
Periodic solid-state calculations of paramagnetic NMR shift tensors using CP2K
Roberta Pigliapochi (Cambdrige University, UK)
NMR study of Periodic Paramagnetic Systems
 15:45-16:15 coffee break
 16:15-17:00  Fourth session: Drug discovery
Giacomo Parigi (CIRMMP, Florence, Italy)
Paramagnetic tags for drug discovery
Mathilde Lescanne (Leiden University, Netherlands)
Protein assignment using paramagnetic effects with PARAssign
Puneet Ahuja (Astra Zeneca, Molndal, Sweden)
Structural determination of ligands bound to pharmaceutical target proteins by paramagnetic NMR
 17:15-18:00 Fifth session: Paramagnetic proteins in solution and in crystals
Moreno Lelli (ENS Lyon, France)
Paramagnetic proteins in solution and in crystals
Tobias Schubeis (GIOTTO, Florence, Italy)
Paramagnetic effects for metalloprotein structures in membranes and in crystals
Witold Andralojc (CIRMMP, Florence, Italy)
An integrated structural approach to flexible multidomain proteins
 20h00-onwards Sponsored dinner (Bruker)
Francouzská restaurace (
Sunday, July 5th
Workshop – Part II
9:30-11:30  pNMR : from rags to riches
Challenges and potentials of NMR on paramagnetic molecules
Chair : Christophe Copéret (ETH Zurich)
Frank Köhler (TU Munich)
NMR and Magnetic Materials
Juha Vaara (Oulu University, Finland)
Remarks on pNMR chemical shift and relaxation theory
Claudio Luchinat (GIOTTO, Florence, Italy)
Joint/disjointed refinement of crystal/solution structures using paramagnetic NMR data
Frank Engelke (BrukerBiospin, Germany)
Fast MAS probes for paramagnetic materials
11:30-12:30 Brunch TBC

You can download the programme here :

Detailed Schedule - click to enlarge

Detailed Schedule – click to enlarge

pNMR Prague Workshop SCHEDULE


You are invited to book your accommodation via the Euromar online system, even if you do not plan in attending the EUROMAR congress.
You would just need to create an account on the system in this case, and then proceed through the online accommodation reservation.
You will receive a notification that the booking was accepted, along with a Personal Registration Number. Beware that this can take a day or so.
A confirmation email will be sent once the booking has been proceeded and paid for.

A list of advised hotels is available here :
To access the online booking form : please click here.

How to access Prague Congress Centre

Maps, timetables, fares and route planning are available in English on the Prague Public Transport website

Where to find the Congress Centre and Saturday eve Restaurant

Where to find the Congress Centre and Saturday eve Restaurant

General Transport Map

General Transport Map

By underground railway

The Prague Congress Centre is adjacent to the Vyšehrad station on Line C of the Prague underground railway network, providing convenient access by public transport from the city’s airport and all major rail and bus stations.
Prague Underground Map Congress Centre
Prague Congress Centre exterior MAP

By tram

The nearest tram stop is Svatoplukova. It is in Nusle, directly underneath Nusle Bridge (Nuselský most). Tram numbers 7, 18 and 24 stop here. After getting off the tram walk under the railway line and up the steps through the park straight to the Congress Centre which you will be able to see above you.

By bus

From the bus station Florenc travel 4 stops by metro in the direction of Háje (line C).

By train

From the Main Railway Station travel 3 stops by metro in the direction of Háje (line C).

For more information:

Prague Public Transport (DPP):,
Václav Havel Airport:
Czech Railways (ČD):

By car

GPS: 50.062112,14.428886
The Prague Congress Centre is adjacent to the North-South Prague City Expressway – follow the road signs for Kongresové centrum Praha.
Parking is available in the Prague Congress Centre’s underground car park, or above ground on the southern side of the complex.

Information from Prague Congress Centre website.

How to access the Francouzská restaurant

The restaurant closest Tram, Bus and Metro Station is Náměstí Republiky.

The adress is Náměstí Republiky 5, 110 00, Praha 1.

From the Congress Centre :

By Metro :

It takes 13 min in metro. The fare is 24,-CZK (Tariff short-term local ticket).

From Vyšehrad station take METRO C, in direction of Letňany, to Florenc.

From Florenc, take METRO B, direction Zličín, to Náměstí Republiky.

By tram :

Duration 13 min. Price 24,-CZK

Tram n° 24 (in direction of Ortenovo náměstí ) direct from Svatoplukova to Masarykovo nádraží.





PRAGUE bridges

More information coming soon ! 🙂