about
Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields.Coordination between the polymerase and RNase H activity of HIV-1 reverse transcriptaseExtended molecular dynamics of a c-kit promoter quadruplex.Structural study of the Fox-1 RRM protein hydration reveals a role for key water molecules in RRM-RNA recognition.Reference simulations of noncanonical nucleic acids with different χ variants of the AMBER force field: quadruplex DNA, quadruplex RNA and Z-DNA.Synergy between NMR measurements and MD simulations of protein/RNA complexes: application to the RRMs, the most common RNA recognition motifs.How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes?Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination.Molecular dynamic simulations of protein/RNA complexes: CRISPR/Csy4 endoribonuclease.Structural dynamics of possible late-stage intermediates in folding of quadruplex DNA studied by molecular simulations.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Mechanism of polypurine tract primer generation by HIV-1 reverse transcriptase.MD and QM/MM Study of the Quaternary HutP Homohexamer Complex with mRNA, l-Histidine Ligand, and Mg2.Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein-RNA Complexes?Bioinformatics and Molecular Dynamics Simulation Study of L1 Stalk Non-Canonical rRNA Elements: Kink-Turns, Loops, and TetraloopsIMPROVING THE PERFORMANCE OF THE RNA AMBER FORCE FIELD BY TUNING THE HYDROGEN-BONDING INTERACTIONSMolecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the RibosomeBenchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar–phosphate backbone and their comparison with modern density functional theoryEffect of Guanine to Inosine Substitution on Stability of Canonical DNA and RNA Duplexes: Molecular Dynamics Thermodynamics Integration StudyMolecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations studyMolecular basis for AU-rich element recognition and dimerization by the HuR C-terminal RRMRuvC uses dynamic probing of the Holliday junction to achieve sequence specificity and efficient resolutionCorrection to "Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions"Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding InteractionsRole of Fine Structural Dynamics in Recognition of Histone H3 by HP1γ(CSD) Dimer and Ability of Force Fields to Describe Their Interaction Network
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description
researcher ORCID ID = 0000-0002-9833-4281
@en
wetenschapper
@nl
name
Miroslav Krepl
@ast
Miroslav Krepl
@en
Miroslav Krepl
@es
Miroslav Krepl
@nl
type
label
Miroslav Krepl
@ast
Miroslav Krepl
@en
Miroslav Krepl
@es
Miroslav Krepl
@nl
prefLabel
Miroslav Krepl
@ast
Miroslav Krepl
@en
Miroslav Krepl
@es
Miroslav Krepl
@nl
P106
P1153
55308135600
P31
P496
0000-0002-9833-4281