MCCS-2023 Programme
- Instituto de Química-Física "Rocasolano",
CSIC, 8-12 May 2023 |
|
Monday
8th |
Tuesday
9th |
Wednesday
10th |
Thursday
11th |
Friday
12th |
08:30 -
09:00h
|
Principles
of X-ray Crystallography
Dr.
M. Martinez-Ripoll
Presentation
|
Serial
Crystallography at Synchrotron
Dr.
K. Diederichs
Presentation |
PHENIX. Refinement
and validation
Dr.
P. Afonine (60‘)
Presentation-1
/ Presentation-2
Presentation-3
Phasing (MR and experimental) and
density modification
Dr.
T. Terwilliger (60’)
Presentation
|
REFMAC and tools
for low resolution refinement
Dr. R. Nicholls
Presentation |
Automated
pipelines for drug discovery at synchrotron
Dr.
J. Márquez |
09:00-
09:30h |
09:30-
10:00h |
Principles
of cryo-EM
Dr.
J.M.
Carazo
Presentation |
10:00-
10:30h |
10:30-
11:00h |
Coffee break |
Coffee
break |
Coffee
break |
Coffee
break |
Coffee
break |
11:00-
11:30h |
Production of protein samples for
crystallization, cryo-EM
and other biophysical techniques
Dr.
M. Solá
Presentation
|
General
overview about SHELX
& ARCIMBOLDO
Dr.
I. Usón
Presentation |
Solving
a cryo-EM structure with PHENIX
& AlphaFold
prediction. Step-by-step solution; automatic solution with PredictAndBuild
Dr.
P. Afonine
Dr.
T. Terwilliger
Link to
several tutorials |
Workshop
on REFMAC
Dr.
R. Nicholls |
Hands
on the integration of high-resolution data into the drug discovery
pipelines at CCDC.
Dr.
R. Chikhale |
11:30-
12:00h |
12:00-
12:30h |
12:30-
13:00h |
Free-time
for lunch |
Free-time
for lunch
|
Free-time
for lunch |
Free-time
for lunch |
Free-time
for lunch |
13.00-
13.30h |
13.30-
14.00h |
Data
collection. Considerations and compromises
Dr.
K. Diederichs
Presentation |
PHENIX tools for
crystallography and
cryo-EM
Dr.
P. Afonine (60‘)
Presentation
Structure solution in
the AlphaFold
era
Dr.
T. Terwilliger (60’)
Presentation |
PHENIX.
Crystallographic & cryo-EM refinement, ligand restraints, maps,
validation,
deposition (90’)
Ligand fitting (30’)
Dr.
P. Afonine
Dr.
T. Terwilliger
Link to
several tutorials |
Refinement
and manual model building using COOT
and WebCoot
Dr.
F. Sánchez
Presentation
L. Catapano
Presentation |
Sample
preparation, initial screening and optimization for cryo-EM
Dr.
B. Herguedas |
14.00-
14.30h |
14.30-
15.00h |
15.30-
16.00h |
Break |
Break |
Break |
Break |
Break |
16.00-
16.30h |
16.30-
17.00h |
Data quality. Noise errors and
mistakes
Dr.
K. Diederichs
Presentation
|
PHENIX workshop on
integration with AF2.
Step-by-step solution; automatic solution with PredictAndBuild
Dr.
P. Afonine
Dr.
T. Terwilliger
Link to
several tutorials |
CCP4: General
introduction
Dr.
E. Krissinel
Dr. M. Fando
Presentation |
Workshop
on COOT
Dr.
F. Sánchez
L. Catapano
Coot
tutorial |
From
micrographs to atomic model: Data processing overview in cryo-EM
Dr.
B. Herguedas |
17.00-
17.30h |
17.30-
18.00h |
18.00-
18.30h |
Data processing with XDS and associated
programs
Dr.
K. Diederichs
Presentation |
Student’s presentations (*) |
CCP4:
Workshop on CCP4
pipeline
Dr.
E. Krissinel
Dr.
M. Fando |
A
sip of science with XFELs:
Introduction, applications and experimental aspects
Dr.
J.M. Martin García
Presentation |
FAREWELL |
18.30-
19.00h |
Discussions,
questions and time for student’s projects (*) |
Discussions,
questions and time for student’s projects (*) |
19.00-
19-30h |
Discussions, questions and time for
student’s projects (*) |
FIESTA |
... |
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Monday 8th |
Tuesday
9th |
Wednesday
10th |
Thursday
11th |
Friday
12th |