about
The Use of Multiscale Molecular Simulations in Understanding a Relationship between the Structure and Function of Biological Systems of the Brain: The Application to Monoamine Oxidase EnzymesAnatomy of a simple acyl intermediate in enzyme catalysis: combined biophysical and modeling studies on ornithine acetyl transferaseStructural basis for binding of hypoxia-inducible factor to the oxygen-sensing prolyl hydroxylasesStructural and biochemical analyses reveal how ornithine acetyl transferase binds acidic and basic amino acid substratesStructure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 EpitopeConformational sampling and dynamics of membrane proteins from 10-nanosecond computer simulations.Quantifying the Binding Interaction between the Hypoxia-Inducible Transcription Factor and the von Hippel-Lindau Suppressor.Membrane Phase-Dependent Occlusion of Intramolecular GLUT1 Cavities Demonstrated by Simulations.Ribonucleotide Reductase Requires Subunit Switching in Hypoxia to Maintain DNA ReplicationEffects of the protonation state of the EEEE motif of a bacterial Na(+)-channel on conduction and pore structure.Role of aromatic localization in the gating process of a potassium channel.Structural basis for oxygen degradation domain selectivity of the HIF prolyl hydroxylases.Cholesterol-dependent membrane fusion induced by the gp41 membrane-proximal external region-transmembrane domain connection suggests a mechanism for broad HIV-1 neutralization.Ion channel gating: insights via molecular simulations.Interaction of anesthetics with open and closed conformations of a potassium channel studied via molecular dynamics and normal mode analysisModel-based prediction of the alpha-hemolysin structure in the hexameric state.Atypical mechanism of conduction in potassium channels.Computational studies on the interactions of inhalational anesthetics with proteins.Examining ion channel properties using free-energy methods.K(+) and Na(+) conduction in selective and nonselective ion channels via molecular dynamics simulationsGating at the selectivity filter of ion channels that conduct Na+ and K+ ions.Computational studies of transport in ion channels using metadynamics.A perspective on structural and computational work on collagen.Voltage-Gated Sodium Channels: Mechanistic Insights From Atomistic Molecular Dynamics Simulations.Potassium channel, ions, and water: simulation studies based on the high resolution X-ray structure of KcsA.Molecular dynamics simulations and neutron reflectivity as an effective approach to characterize biological membranes and related macromolecular assemblies.Binding of Capsaicin to the TRPV1 Ion Channel.Surfactin at the Water/Air Interface and in Solution.Exploring the Dynamics of the TWIK-1 Channel.Energetics of Ion Permeation in an Open-Activated TRPV1 Channel.In silico identification of PAP-1 binding sites in the Kv1.2 potassium channel.Permeation and dynamics of an open-activated TRPV1 channel.Modeling of an ion channel in its open conformation.Two different conformational states of the KirBac3.1 potassium channel revealed by electron crystallography.Chemical basis for the selectivity of the von Hippel Lindau tumor suppressor pVHL for prolyl-hydroxylated HIF-1alpha.Insights into the sliding movement of the lac repressor nonspecifically bound to DNA.Calculation of dipole-shielding polarizabilities (sigma(alphabetagamma)I): the influence of uniform electric field effects on the shielding of backbone nuclei in proteins.KcsA closed and open: modelling and simulation studies.Conformational changes and gating at the selectivity filter of potassium channels.Bias-Exchange Metadynamics Simulations: An Efficient Strategy for the Analysis of Conduction and Selectivity in Ion Channels.
P50
Q26740761-9B5E9ED8-D311-46FD-A0FE-2AB27B08407BQ27653254-8F568C05-7F77-482C-8FDC-7FCB6D77D9AEQ27656451-E016CDD9-588B-4219-8120-1553215011A9Q27671112-04FC2344-BB80-4011-87EF-CFD97F7A40F5Q27681352-BF5A1800-777D-4494-A28D-D3A89F997838Q30163865-C40A2634-11E4-4305-8C08-58E0D12A036DQ30381449-F9F8BB6D-2192-4D77-93F3-A260D2384FC0Q30400453-0478F53E-676A-4971-90C6-991DC4C226DCQ33603402-4BACB9EE-1CDF-401C-91DA-25944BF69E18Q33736510-228DD9B7-CB54-400C-88C8-4A9AD35DA737Q34352911-A7F0102A-927F-49FB-BE3D-886750EFE8EAQ34538526-AE0E3825-3D4E-4483-A5CE-51EEB6D0582FQ34594591-1B891134-1BA3-434C-A491-82C91719E60CQ35589991-621C608A-BF09-4720-A5F5-F8F2E841A48FQ36785247-978C7C54-1922-4AA2-9A2E-3E7ABD679FC6Q36838918-F1817E04-CEB2-4308-B632-F36149D33AF5Q37364018-D625A96B-B746-44BA-85D5-F702781E52E6Q37605138-FDFD1FC6-9BC3-4406-99B1-E32AFCBDFA6AQ37879278-057D892B-2D2E-4D21-B862-1AAADA1BE9F2Q38153858-B1E39123-35A5-48B7-866C-8806EC42505CQ38597998-CE83934C-D3BE-4C6F-B443-ACA1A3593290Q38739533-9CE5B72E-1935-438F-B94C-079D875D35F9Q38973643-382EFC26-E458-4763-B2C0-EE4DFCE1778EQ39430668-59B6AA9C-55ED-4C18-A60D-3736BDC274F3Q40259570-5BD651A4-75CD-4FF7-8073-D3EEBA0150F8Q40315677-182972A3-36CD-47B9-802B-C2E353C88B98Q40392028-ECFF4439-7CB4-4483-B80E-087D24D28B11Q40514791-E05E587F-C645-44D7-AF8E-04DEDF38D6E3Q40960166-B337A7FC-DF07-40E8-96AC-E6669A789C23Q41165261-032E31B1-8BC0-44F6-AF54-22DF96EDAB5AQ41313873-EF6F7E0F-E3D2-4605-B70E-50364EDEACDDQ41606734-AFBE5E4D-C949-4644-8C13-43560B4AF94AQ42179432-7F163516-E8C0-4CEE-A793-CD257B793549Q42670332-C33B74E7-9797-4ED0-9B06-52CF2394CE83Q42942819-B1A1AFD4-46A8-41F6-9971-54EF26DD1C40Q43718700-DEBCEE5F-7C9C-4442-AAFF-97ED1537C683Q44540105-A3873ACE-AF0C-43B8-A614-A33F80D695D9Q44629033-70F37007-17A7-4C2E-857F-BD78C918B90CQ46512362-FE6598FA-F3F5-494A-BBD7-0FDCAFC9FCEAQ46638879-B59A6B42-6BA6-4724-9C1F-0BD6B92F81D1
P50
description
hulumtuese
@sq
onderzoeker
@nl
researcher
@en
ricercatrice
@it
հետազոտող
@hy
name
Carmen Domene
@ast
Carmen Domene
@de
Carmen Domene
@en
Carmen Domene
@es
Carmen Domene
@nl
Carmen Domene
@sl
type
label
Carmen Domene
@ast
Carmen Domene
@de
Carmen Domene
@en
Carmen Domene
@es
Carmen Domene
@nl
Carmen Domene
@sl
prefLabel
Carmen Domene
@ast
Carmen Domene
@de
Carmen Domene
@en
Carmen Domene
@es
Carmen Domene
@nl
Carmen Domene
@sl
P108
P227
P21
P214
2164148390868410830009
P227
1122755333
P31
P496
0000-0001-7115-4232
P735
P7859
lccn-n2018180387