about
Investigating the structure and dynamics of the PIK3CA wild-type and H1047R oncogenic mutantStructural Characterization and Computer-Aided Optimization of a Small-Molecule Inhibitor of the Arp2/3 Complex, a Key Regulator of the Actin CytoskeletonMembrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.Insights into the molecular basis of action of the AT1 antagonist losartan using a combined NMR spectroscopy and computational approach.Structure-based virtual screening for drug discovery: principles, applications and recent advances.Membrane partitioning of anionic, ligand-coated nanoparticles is accompanied by ligand snorkeling, local disordering, and cholesterol depletion.Pyrazole-based potent inhibitors of GGT1: Synthesis, biological evaluation, and molecular docking studies.DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations.Free Energy Calculations Reveal the Origin of Binding Preference for Aminoadamantane Blockers of Influenza A/M2TM Pore.Alchemical Free Energy Calculations and Isothermal Titration Calorimetry Measurements of Aminoadamantanes Bound to the Closed State of Influenza A/M2TM.A molecular mechanics force field for biologically important sterols.Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations.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.Self-assembly of anionic, ligand-coated nanoparticles in lipid membranes.ChemBioServer: a web-based pipeline for filtering, clustering and visualization of chemical compounds used in drug discovery.Exploring a non-ATP pocket for potential allosteric modulation of PI3Kα.Effect of 5-trans Isomer of Arachidonic Acid on Model Liposomal Membranes Studied by a Combined Simulation and Experimental ApproachDifferential Effects of Cholesterol, Ergosterol and Lanosterol on a Dipalmitoyl Phosphatidylcholine Membrane: A Molecular Dynamics Simulation StudyInsights into the mechanism of the PIK3CA E545K activating mutation using MD simulationsNanoCrystal: A web-based crystallographic tool for the construction of nanoparticles based on their crystal habitWomen in Computational ChemistryTherapeutic Effects of an Anti-Myc Drug on Mouse Pancreatic CancerForce-Field Development and Molecular Dynamics Simulations of Ferrocene–Peptide Conjugates as a Scaffold for Hydrogenase MimicsA Celebration of Women in Computational ChemistryNovel Directions in Free Energy Methods and ApplicationsThe SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculationsRigorous Free Energy Simulations in Virtual Screening
P50
Q27320874-CA5ACDF6-8895-4E8E-A673-19525E87E0F9Q27679277-AD83C258-68C8-4627-935B-46B02FA4A0EBQ30375519-5085D4DB-AB4B-4D77-A7AE-74AAC6C5605AQ30724612-9DCF3026-28AE-4A30-BB75-166A64F1BC4FQ35282223-B93A59B9-D9B1-414F-8737-08922670545DQ35488869-DD801123-2304-4773-AABE-58EF1E0079A6Q38746644-39813F09-511E-4B09-932B-6E250466A80FQ39488688-B921CCE8-CB2F-4975-9EE0-DF2FD48E5EBFQ40296442-487C1B75-8EE5-49B9-B534-6FA9C70F34E6Q40786120-25B6DC21-3591-4A62-8999-D8A2940AF437Q46607632-9F5BC7E4-5BB2-445B-957D-DF5645B2870CQ47291097-5C0A25E1-85B4-4182-9645-D115F759B493Q47614697-AE5F6348-0215-42BF-BDD1-DE01B3B702A1Q51138528-BDEBAAFD-52A2-4055-9A74-33462D1E93BBQ51325204-2D2E8671-2550-4143-84A7-CFB385820B81Q55070771-F0C97AF1-9749-40DF-989B-2C8B15CB34F0Q56380473-838D48A7-5623-4C47-8670-D250E9B8C954Q57366172-CE9BDA6A-2DD2-499E-BC72-C0442EA99CDBQ57811390-61F8EB82-B792-4D95-8CE6-2E35AECACB2BQ57814864-EF8792D1-E274-46FF-9F0A-CBE79930A43DQ59099510-468B26C7-B6EC-4193-8A94-947F11859124Q61714262-07D61E8D-E89E-4C01-BD42-B7670C00CAA4Q61714265-D57B622C-F820-4EA0-B472-983F495353F6Q92319740-5F8774C5-A2F5-475E-9BA1-2FE2C44A967DQ92948867-7DC88DD1-BC27-4EC7-8D38-78E3E7018603Q92956891-D502234A-2EC1-4D31-80BE-7FB167494634Q96352782-6E403581-67C0-410A-AA22-C8A806A6E4FE
P50
description
hulumtuese
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Zoe Cournia
@ast
Zoe Cournia
@en
Zoe Cournia
@es
Zoe Cournia
@sl
type
label
Zoe Cournia
@ast
Zoe Cournia
@en
Zoe Cournia
@es
Zoe Cournia
@sl
prefLabel
Zoe Cournia
@ast
Zoe Cournia
@en
Zoe Cournia
@es
Zoe Cournia
@sl
P106
P1153
8987210100
P21
P2456
P31
P496
0000-0001-9287-364X
P569
2000-01-01T00:00:00Z