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Sánchez Murcia Pedro Alejandro |

Präsentationen bei wissenschaftlichen und nicht-wissenschaftlichen Veranstaltungen

Erkan-Candag, H; Platero Rochart, D.J; Tiapko, O; Sánchez Murcia, P.A; Glasnov, T; Stockner, T; Groschner, K A new photopharmacological tool reveals L1 as a regulatory sterol binding site in TRPC3
17th International Meeting of the European Calcium Society; SEP 1-4; Cambridge, UK. 2024. [Oral Communication]

 

Erkan-Candag, H; Rochart, DDJP; Tiapko, O; Murcia, PAS; Glasnov, T; Stockner, T; Groschner, K Deciphering the mechanism of cholesterol sensing in TRPC3 through photopharmacology
BIOPHYS J. 2024; 123(3):393A-393A.-Biophysical Society Meeting; FEB, 11-13, 2024; Philadelphia, USA. [Poster]
Web of Science

 

Ptaszek, A Ligand 1H NMR Chemical Shifts as Accurate Probes for Protein-Ligand Interactions in Solution
https://www.theochem.nl/events/cbond2024. 2024; -The 4th European Symposium on Chemical Bonding ; 23-27.09.2024; Amsterdam, The Netherlands. [Oral Communication]

 

Ptaszek, AL; Platzer, G; Böttcher, J; Fuchs, JE; Geist, L; Braun, D; McConnell, DB; Konrat, R; Sánchez-Murcia, PA; Mayer, M Ligand 1H NMR Chemical Shifts as Accurate Reporters for Protein-Drug Binding Interfaces
Machine Learning for Chemistry; 27.02.2024-01.03.2024; Bad Hofgastein, Austria. 2024. [Poster]
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Rakhimbekova, A; Bourgeois, BMR; Braun, M; Sánchez Murcia , PA; Oberdorfer, G; Madl, T Structural studies of FOXM1 regulation by β-catenin
20th European Magnetic Resonance Congress; JUN 30 - JUL 4, 2024; Bilbao; SPAIN. 2024. [Poster]

 

Sánchez-Murcia, PA; Toledo-Marcos, J; Schindl, R; Geronimo, B; Horváti, K; Mándity, I; Bacsa, B Targeting the calcium release-activated calcium channel using peptidomimetics
EuChemS 2024; JULY 7-11, 2024; Dublin, Ireland. 2024. [Oral Communication]
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Di Geronimo, B; Sanchez-Murcia, PA On the pursuing of “Chemical Rescuers” for mannosidosis by computer-aided molecular design
https://chembio.scito.org/wp-content/uploads/2023/02/AgendaChemBioVI-v2.pdf. 2023; -VI Chemical Biology Group Meeting; MAR 6-8, 2023; Valencia, SPAIN. [Oral Communication]
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Haitzmann, T; Bluemel, G; Sánchez-Murcia, PA; Ptaszek, A; Hrzenjak, A; Leithner, K Combined inhibition of gluconeogenesis and glycolysis suppresses lung cancer spheroid growth.
DocDay Medical University of Graz; 2023. [Oral Communication]

 

Mandl, S; Di Geronimo, B; Nusshold, C; Sánchez-Murcia, P. A Open Questions on the Maturation and Quaternary Structure of the Human Lysosomal Alpha-Mannosidase.
5th Frontiers Symposium; DEZ 18, 2023; Graz, AUSTRIA. 2023. [Poster]
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Mandl, S; Di Geronimo, B; Nusshold, C; Sánchez-Murcia, PA Open Questions on the Maturation and Quaternary Structure of the Human Lysosomal Alpha-Mannosidase.
Novel Enzymes 2023; MAR 28-31, 2023; Greifswald, DEUTSCHLAND. 2023. [Poster]
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Mandl, S; Nusshold, C; Di Geronimo, B; Sanchez Murcia, P Discovery of positive allosteric modulators for the treatment of mannosidosis.
Doctoral Day 2023; FEB 9, 2023; Medical University of Graz, AUSTRIA. 2023. [Poster]

 

Platero Rochart, D; Krivibokova, T; Gastegger, M; Reibnegger, G; Sanchez Murcia, PA Computer aided (re)-design of enzyme for therapeutics: First steps on energy barriers prediction
DocDay 2023; FEB 9,2023; Graz, Austria. 2023. [Poster]

 

Platero-Rochart, D; Sánchez-Murcia, PA Computer-Aided (re)-design of enzymes for therapeutics: first steps on energy barriers prediction
Novel Enzyme; MARCH 28-31, 2023; Greifswald, GERMANY. 2023. [Poster]
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Platero-Rochart, D; Sánchez-Murcia, PA On the use of Machine Learning to predict enzyme-based energy barriers: The challenges of training a model.
Otto-Loewi Research Center Science Day; FEB 16, 2023; Graz, AUSTRIA. 2023. [Poster]

 

Platero-Rochart, D; Sánchez-Murcia, PA Computer-Aided (re)-design of enzymes for therapeutics: first steps on energy barriers prediction
2. European Rosetta Con; SEP 25-27, 2023; Leipzig, GERMANY. 2023. [Poster]
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Platero-Rochart, D; Sánchez-Murcia, PA Prediction of enzyme activity How far are we from obtaining a predictive model?
Frontiers in Structural Biology and Biophysics; DEC 18, 2023; Graz, AUSTRIA. 2023. [Poster]
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Ptazek, A; Sanchez Murcia, PA Ligand 1H NMR Chemical Shifts as Accurate Descriptors for Protein-Drug Binding Interactions
Frontiers in Integrative Structural Biology and Biophysics; DEC 18, 2023; Graz, AUSTRIA. 2023. [Oral Communication]
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Sanchez Murcia, PA Molecular modeling of enzymes for therapy
Invited talk to TU Brno; APR 14, 2023; Brno, CZECH REPUBLIC. 2023. [Keynote lecture]

 

Sanchez Murcia, PA „Drug development for LSDs
Morbus Fabry Minisymposium Graz ; APR 20, 2023; Graz, AUSTRIA. 2023. [Oral Communication]
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Sanchez Murcia, PA Computer-design of enzyme variants based on energy barriers
Meeting with research group Dr. Davari; SEPT 15, 2023; Halle, GERMANY. 2023. [Keynote lecture]

 

Sanchez Murcia, PA Computer-aided design of modulators to target protein-protein interfaces (PPIs)
Meeting FWF Joint Project ; OCT 26-27, 2023; Budapest, HUNGARY. 2023. [Oral Communication]

 

Sanchez Murcia, PA First steps for the prediction of enzymatic reaction energy barriers using machine learning
1st WG Meeting COZYME COST Action; MAR 20, 2023; Fuengirola (Spain). 2023. [Oral Communication]
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Toledo Marcos, J; Di Geronimo, B; Schindl, R; Bacsa, B; Sanchez Murcia, PA STIM-Orai based Peptidomimetics for CRAC channel modulation
Frontiers in Integrative Structural Biology and Biophysics; DEC 18, 2023; Graz Austria. 2023. [Poster]
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Toledo Marcos, J; Di Geronimo, B; Schindl, R; Bacsa, B; Sanchez Murcia, PA Development of peptidomimetics to target CRAC channel complex
DocDay 2023; FEB 9, 2023; Graz, Austria. 2023. [Poster]

 

Toledo Marcos, J; Di Geronimo, B; Schindl, R; Bacsa, B; Sánchez-Murcia PA DESIGN AND CHARACTERIZATION OF PROTEIN-PROTEIN INTERACTION BASED PEPTIDES FOR PROTEIN ACTIVITY MODULATION
https://www.novelenzymes2023.eu/program/poster-presentations. 2023; (153):-Novelenzymes 2023; MAR 28 - 31, 2023; Greifswald, Germany. [Poster]
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Di Geronimo, B; Sánchez-Murcia, P Allostery prediction of the human lysosomal 𝛼-mannosidase, disclosing new cryptic pockets by in silico tools.
Robert Konrat's 60th: From Dynamics To Disorder and Beyond.; SEP 28-29, 2022; Vienn, AUSTRIA. 2022. [Poster]
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Di Geronimo,B; Alonso-Gil, S; Sánchez-Murcia P. Unveiling the role of enzyme dynamics on the pathophysiology of alpha-mannosidosis
Present and Future of Hybrid Quantum Chemical and Molecular Mechanical Simulations; JUN 20-23, 2022; Lecco, Italy. 2022. [Poster]
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Goncharova, N; Hamm, F; Glotz, G; Haas, M; Gescheidt-Demner, G; Sánchez Murcia, PA; Kelterer, AM Photoinitiators in Theory: Photodissociation versus Brook Rearrangement
https://www.stc2022.uni-heidelberg.de/docs/STC_2022_book_of_abstracts.pdf. 2022; (P039):-58th Symposium on Theoretical Chemistry, STC 2022; SEP 18-22, 2022; Heidelberg, GERMANY. [Poster]
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Platero-Rochart, D; Krivobokova, T; Sánchez-Murcia, PA Computed aided (re)-design of enzymes for therapeutics
Girona Seminar; MAY 31 - JUN 3, 2022; Girona, Spain. 2022. [Poster]
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Ptaszek, A; Platzer, G; Mayer, M; Sánchez Murcia, PA; Konrat, R Computer-aided drug design based on protein-ligand interactions analysis
https://www.cecam.org/workshop-details/268. 2022; -Hybrid Quantum Mechanics / Molecular Mechanics (QM/MM) approaches to biochemistry and beyond; MAY 16-20, 2022; Lausanne, SWITZERLAND. [Poster]
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Ptaszek, A; Platzer, G; Mayer, M; Sánchez Murcia, PA; Konrat, R. Robust prediction of 1H NMR chemical shifts in CH-π-bonded protein-ligand systems
https://icni2021.unistra.fr/. 2022; -International Conferences on Noncovalent Interactions (ICNI); JUL 18-22, 2022; Strasbourg, FRANCE. [Poster]
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Ptaszek, A; Platzer, G; Sánchez Murcia, PA; Konrat, R; Mayer, M Robust prediction of 1H NMR chemical shifts in CH-π-bonded protein-ligand systems
Frontiers in Integrative Structural Biology and Biophysics; DEC 13, 2022; Graz. 2022. [Poster]

 

Ptaszek, A; Platzer,1G; Mayer, M; Sánchez Murcia, PA; Konrat, R Robust prediction of ¹H NMR chemical shifts in CH-π-bonded protein-ligand systems
https://www.nmrvienna2022.at/home. 2022; -Robert Konrat’s 60th: From Dynamics to Disorder and Beyond; SEP 28-29, 2022; Vienna, AUSTRIA. [Poster]
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Sanchez Murcia, PA Modeling photoprobes under biological environments
https://www.cecam.org/workshop-details/1152. 2022; -CECAM: Present and Future of Hybrid Quantum Chemical and Molecular Mechanical Simulations; JUN 20-23, 2022; Lecco, ITALIA. [Oral Communication]
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Sánchez Murcia, PA Simulating enzyme activity
Seminar Physical and Theoretical Chemistry · Universität Graz ; NOV 4, 2022; Graz. 2022. [Keynote lecture]
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Sánchez Murcia, PA Classical Molecular Dynamics
https://www.youtube.com/watch?v=yt2vGV3_rTw. 2022; -M2D School on High-Performance Multilayer Molecular Dynamics Approaches.; NOV 23, 2022; Madrid, SPANIEN. [Keynote lecture]
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Sánchez Murcia, PA (Re)design of enzymes using quantum chemistry
Symposium: Frontiers in Structural Integrative Biology and Biophysics; DEC 13, 2022; Graz. 2022. [Oral Communication]
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Sánchez Murcia, PA Simulation of all-atom enzyme catalysis
Máster Interuniversitario en Descubrimiento de Fármacos ; DEC 12, 2022; Madrid. 2022. [Keynote lecture]

 

Sánchez-Murcia, PA; Platero-Rochart, D; Krivobokova, T Protein Engineering in the computer using Steered Molecular Dynamics as Screening Tool
https://www.xcdsystem.com/cic/program/s07pZsO/index.cfm?pgid=1916&SearchTerm=Murcia. 2022; -WATOC 2020; JUL 2-8, 2022; Vancouver, CANADA. [Oral Communication]
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Singer, NK; Sánchez Murcia, PA; Ernst, M; González, L QM/MM Simulations Reveal the Turn-On Mechanism of a Fluorescent Probe for Imaging GABAa Receptors
https://www.stc2022.uni-heidelberg.de/docs/STC_2022_book_of_abstracts.pdf. 2022; (P262):-58th Symposium on Theoretical Chemistry, STC 2022; SEP 18-22, 2022; Heidelberg, GERMANY. [Poster]
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Nusshold, C; Cvirn, G.; Sánchez-Murcia, PA Protein engineering on the thrombolytic enzyme ADAMTS13 guided by computational methods
Biotrans 2021 ; JUL 19-22, 2021; GRAZ, AUSTRIA. 2021. [Poster]
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Singer, NK; Sanchez Murcia, PA; Ernst, M; Gonzalez, L Fluorescent Probe Goes Bananas: Turn-On Mechanism of an Allosteric Modulator Screening Tool for GABAA Receptors
https://pharminfo.univie.ac.at/summerschool/2021/. 2021; -EUROPIN Summer School on Drug Design; SEP 13-17, 2021; Vienna, AUSTRIA. [Onlinepräsentation]
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Singer, NK; Sanchez Murcia, SA; Ernst, M; González, L Going Bananas! Turn-on mechanism of a fluorescent probe for imaging GABAA receptors
MolTag Doctoral Program Retreat; SEP 29-30, 2021; Retz, AUSTRIA. 2021. [Poster]

 

Sanchez Murcia Multiscale QM/MM methods to describe solvation
https://www.lightdynamics.eu/technology-training-camp.html. 2020; -LightDyNAmics Meeting; FEB 17-21, 2020; Vienna, AUSTRIA. [Oral Communication]
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Sanchez Murcia, PA Deciphering the fluorescence changes of a selenium-labeled ribonucleoside probe at the bacterial ribosome A-site
https://www.imperial.ac.uk/events/96171/modelling-photoinduced-processes-in-molecular-systems/. 2020; - Modelling Photoinduced Processes in Molecular Systems; FEB 06-07, 2020; London, UK. [Oral Communication]
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Avagliano, D; Sanchez Murcia, PA; Gonzalez, L Drastic effect of the electrostatic energy on the binding mode of spiropyran photoprobe to dsDNA
https://congresosalcala.fgua.es/ecbs2019euchems/. 2019; -6th-European Chemical Biology Symposium/LS-EuChemS; APRIL 03-05, 2019; Madrid, SPAIN. [Oral Communication]
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Sanchez Murcia, PA Ruthenium-based complexes bound to biological lipid membranes: a computational approach
https://fh.huji.ac.il/news/huji-univ-vienna-joint-seminar-3110-1112019. 2019; - HUJI - Univ. Vienna Joint Seminar; OCT 30-31,2019; Jerusalem, ISRAEL. [Oral Communication]
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Sanchez Murcia, PA Theoretical insights into photoactivatable microtubule-targeting agents
http://www.allconfs.org/meeting/index_en.asp?id=5145. 2018; -4th Workshop on Chemistry and Biology of Microtubules and MTAs; SEP 18-19, 2018; Beijing, CHINA. [Oral Communication]
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Sanchez Murcia, PA; del Arco, J; Fernandez-Lucas, J; Gonzalez, L Revisiting the catalytic mechanism of nucleoside 2-deoxyribosyltransferase by means of QM/MM methods
https://personalpages.manchester.ac.uk/staff/Richard.Bryce/qmmm2017/index.html. 2018; -QM/MM Methods and Applications; SEP 04-06, 2017; Manchester, UK. [Poster]
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Sanchez Murcia, PA; Nogueira, JJ; Plasser, F; Gonzalez, L Orbital-free theoretical descriptors to design directional excitation in Ru-based photosensitizers
https://www.euchems2018.org/. 2018; -7th EuCheMS Chemistry Congress; AUG 26-30, 2018; Liverpool, UK. [Oral Communication]
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Sanchez Murcia, PA; Nogueira, JJ; Plasser, F; Gonzalez, L Quantification of directional excitations in Ru-based photosensitizers using orbital-free theoretical descriptors
https://sites.google.com/site/qbiciv/. 2018; -QBIC-IV, University of Bath; SEP 03-06, 2018; Bath, UK. [Poster]
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Sanchez Murcia, PA Theoretical study of the photochemical properties of polypyridyl Ru(II) complexes at the interface solution/lipid membrane
https://theochem.chem.rug.nl/femex/femex2017.html#about. 2017; -FemEx Netherlands 2017; JUN 22-25, 2017; Putten, THE NETHERLANDS. [Oral Communication]
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