Novel Directions in Free Energy Methods and Applications
Armacost, Kira A, Riniker, Sereina, Cournia, Zoe
Published in Journal of chemical information and modeling (27.01.2020)
Published in Journal of chemical information and modeling (27.01.2020)
Get full text
Journal Article
Membrane partitioning of anionic, ligand-coated nanoparticles is accompanied by ligand snorkeling, local disordering, and cholesterol depletion
Gkeka, Paraskevi, Angelikopoulos, Panagiotis, Sarkisov, Lev, Cournia, Zoe
Published in PLoS computational biology (01.12.2014)
Published in PLoS computational biology (01.12.2014)
Get full text
Journal Article
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations
Rizzi, Andrea, Jensen, Travis, Slochower, David R., Aldeghi, Matteo, Gapsys, Vytautas, Ntekoumes, Dimitris, Bosisio, Stefano, Papadourakis, Michail, Henriksen, Niel M., de Groot, Bert L., Cournia, Zoe, Dickson, Alex, Michel, Julien, Gilson, Michael K., Shirts, Michael R., Mobley, David L., Chodera, John D.
Published in Journal of computer-aided molecular design (01.05.2020)
Published in Journal of computer-aided molecular design (01.05.2020)
Get full text
Journal Article
Using physics-based pose predictions and free energy perturbation calculations to predict binding poses and relative binding affinities for FXR ligands in the D3R Grand Challenge 2
Athanasiou, Christina, Vasilakaki, Sofia, Dellis, Dimitris, Cournia, Zoe
Published in Journal of computer-aided molecular design (01.01.2018)
Published in Journal of computer-aided molecular design (01.01.2018)
Get full text
Journal Article
Magnetic nanoparticles coated with polyarabic acid demonstrate enhanced drug delivery and imaging properties for cancer theranostic applications
Patitsa, Maria, Karathanou, Konstantina, Kanaki, Zoi, Tzioga, Lamprini, Pippa, Natassa, Demetzos, Constantinos, Verganelakis, Dimitris A., Cournia, Zoe, Klinakis, Apostolos
Published in Scientific reports (10.04.2017)
Published in Scientific reports (10.04.2017)
Get full text
Journal Article
Investigating the structure and dynamics of the PIK3CA wild-type and H1047R oncogenic mutant
Gkeka, Paraskevi, Evangelidis, Thomas, Pavlaki, Maria, Lazani, Vasiliki, Christoforidis, Savvas, Agianian, Bogos, Cournia, Zoe
Published in PLoS computational biology (01.10.2014)
Published in PLoS computational biology (01.10.2014)
Get full text
Journal Article
Therapeutic Effects of an Anti-Myc Drug on Mouse Pancreatic Cancer
STELLAS, Dimitris, SZABOLCS, Matthias, KOUL, Sanjay, ZHE LI, POLYZOS, Alexander, ANAGNOSTOPOULOS, Constantinos, COURNIA, Zoe, TAMVAKOPOULOS, Constantin, KLINAKIS, Apostolos, EFSTRATIADIS, Argiris
Published in JNCI : Journal of the National Cancer Institute (01.12.2014)
Published in JNCI : Journal of the National Cancer Institute (01.12.2014)
Get full text
Journal Article
Free energy landscape of the PI3Kα C-terminal activation
Kotzampasi, Danai Maria, Papadourakis, Michail, Burke, John E., Cournia, Zoe
Published in Computational and structural biotechnology journal (01.12.2024)
Published in Computational and structural biotechnology journal (01.12.2024)
Get full text
Journal Article
Comparative Interaction Studies of Quercetin with 2-Hydroxyl-propyl-β-cyclodextrin and 2,6-Methylated-β-cyclodextrin
Vakali, Vasiliki, Papadourakis, Michail, Georgiou, Nikitas, Zoupanou, Nikoletta, Diamantis, Dimitrios A, Javornik, Uroš, Papakyriakopoulou, Paraskevi, Plavec, Janez, Valsami, Georgia, Tzakos, Andreas G, Tzeli, Demeter, Cournia, Zoe, Mauromoustakos, Thomas
Published in Molecules (Basel, Switzerland) (26.08.2022)
Published in Molecules (Basel, Switzerland) (26.08.2022)
Get full text
Journal Article
Membrane Composition and Raf[CRD]-Membrane Attachment Are Driving Forces for K‑Ras4B Dimer Stability
Andreadelis, Ioannis, Kiriakidi, Sofia, Lamprakis, Christos, Theodoropoulou, Anastasia, Doerr, Stefan, Chatzigoulas, Alexios, Manchester, John, Velez-Vega, Camilo, Duca, José S, Cournia, Zoe
Published in The journal of physical chemistry. B (24.02.2022)
Published in The journal of physical chemistry. B (24.02.2022)
Get full text
Journal Article
The orchestrated signaling by PI3Kα and PTEN at the membrane interface
Kotzampasi, Danai Maria, Premeti, Kyriaki, Papafotika, Alexandra, Syropoulou, Vasiliki, Christoforidis, Savvas, Cournia, Zoe, Leondaritis, George
Published in Computational and structural biotechnology journal (01.01.2022)
Published in Computational and structural biotechnology journal (01.01.2022)
Get full text
Journal Article
Interplay of cholesterol, membrane bilayers and the AT1R: A cholesterol consensus motif on AT1R is revealed
Kiriakidi, Sofia, Chatzigiannis, Christos, Papaemmanouil, Christina, Tzakos, Andreas G., Cournia, Zoe, Mavromoustakos, Thomas
Published in Computational and structural biotechnology journal (01.01.2021)
Published in Computational and structural biotechnology journal (01.01.2021)
Get full text
Journal Article