about
Tyrosine aminotransferase: biochemical and structural properties and molecular dynamics simulationsAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsInduced Polarization Influences the Fundamental Forces in DNA Base Flipping.Biophysical and molecular-dynamics studies of phosphatidic acid binding by the Dvl-2 DEP domain.Phosphorylation of PPARγ Affects the Collective Motions of the PPARγ-RXRα-DNA Complex.Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid β-Peptides.Characterization of Mg2+ Distributions around RNA in Solution.DIRECT-ID: An automated method to identify and quantify conformational variations--application to β2 -adrenergic GPCR.Lipid composition influences the release of Alzheimer's amyloid β-peptide from membranes.Structure and dynamics of FosA-mediated fosfomycin resistance in Klebsiella pneumoniae and Escherichia coli.Parametrization of halogen bonds in the CHARMM general force field: Improved treatment of ligand-protein interactions.Implementation of extended Lagrangian dynamics in GROMACS for polarizable simulations using the classical Drude oscillator model.Practical considerations for building GROMOS-compatible small-molecule topologies.Assessing the stability of Alzheimer's amyloid protofibrils using molecular dynamics.A comparative molecular dynamics analysis of the amyloid beta-peptide in a lipid bilayer.GridMAT-MD: a grid-based membrane analysis tool for use with molecular dynamics.Perturbation of membranes by the amyloid beta-peptide--a molecular dynamics study.Characterization of interactions between PilA from Pseudomonas aeruginosa strain K and a model membrane.Aggregation of Alzheimer's amyloid β-peptide in biological membranes: a molecular dynamics study.Comparing atomistic molecular mechanics force fields for a difficult target: a case study on the Alzheimer's amyloid β-peptide.Simulations of monomeric amyloid β-peptide (1-40) with varying solution conditions and oxidation state of Met35: implications for aggregation.Balancing the Interactions of Mg2+ in Aqueous Solution and with Nucleic Acid Moieties For a Polarizable Force Field Based on the Classical Drude Oscillator Model.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: I. Refinement Using Quantum Mechanical Base Stacking and Conformational Energetics.Polarizable Force Field for DNA Based on the Classical Drude Oscillator: II. Microsecond Molecular Dynamics Simulations of Duplex DNA.FusoPortal: an Interactive Repository of Hybrid MinION-Sequenced Fusobacterium Genomes Improves Gene Identification and Characterization.Insights into Stabilizing Forces in Amyloid Fibrils of Differing Sizes from Polarizable Molecular Dynamics SimulationsMolecular dynamics simulations using the drude polarizable force field on GPUs with OpenMM: Implementation, validation, and benchmarksFusoPortal: An interactive repository of hybrid MinION sequenced Fusobacterium genomes improves gene identification and characterizationSmall Molecule Thermochemistry: A Tool for Empirical Force Field DevelopmentHIV-1 Env gp41 Transmembrane Domain Dynamics Are Modulated by Lipid, Water, and Ion InteractionsComplete Genome Sequence of Fusobacterium necrophorum subsp. ATCC 25286Polarizable force field for RNA based on the classical drude oscillatorMolecular Dynamics Simulations of the c-kit1 Promoter G-Quadruplex: Importance of Electronic Polarization on Stability and Cooperative Ion BindingSequential Bending and Twisting around C-C Single Bonds by Mechanical Lifting of a Pre-Adsorbed PolymerSame fold, different properties: polarizable molecular dynamics simulations of telomeric and TERRA G-quadruplexes
P50
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P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Justin A Lemkul
@ast
Justin A Lemkul
@en
Justin A Lemkul
@es
Justin A Lemkul
@nl
Justin A Lemkul
@sl
type
label
Justin A Lemkul
@ast
Justin A Lemkul
@en
Justin A Lemkul
@es
Justin A Lemkul
@nl
Justin A Lemkul
@sl
prefLabel
Justin A Lemkul
@ast
Justin A Lemkul
@en
Justin A Lemkul
@es
Justin A Lemkul
@nl
Justin A Lemkul
@sl
P108
P106
P21
P2456
P31
P496
0000-0001-6661-8653