about
Well-Tempered Metadynamics: A Smoothly Converging and Tunable Free-Energy MethodExploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations.Enhanced Conformational Sampling Using Replica Exchange with Collective-Variable Tempering.Predicting the Kinetics of RNA Oligonucleotides Using Markov State Models.Nonkinetic modeling of the mechanical unfolding of multimodular proteins: theory and experiments.Elastic network models for RNA: a comparative assessment with molecular dynamics and SHAPE experiments.Ligand-induced stabilization of the aptamer terminal helix in the add adenine riboswitch.RNA/Peptide Binding Driven by Electrostatics-Insight from Bidirectional Pulling Simulations.Trans-cis switching mechanisms in proline analogues and their relevance for the gating of the 5-HT3 receptor.The role of nucleobase interactions in RNA structure and dynamics.Ensemble of transition state structures for the cis-trans isomerization of N-methylacetamide.Role of the subunit interactions in the conformational transitions in adult human hemoglobin: an explicit solvent molecular dynamics study.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Unraveling Mg2+-RNA binding with atomistic molecular dynamics.Molecular Dynamics Simulations Reveal an Interplay between SHAPE Reagent Binding and RNA Flexibility.Metadynamics with Adaptive Gaussians.Excitons in carbon nanotubes: an ab initio symmetry-based approach.Langevin equation with colored noise for constant-temperature molecular dynamics simulations.Accurate multiple time step in biased molecular simulations.Reactive force field simulation of proton diffusion in BaZrO3 using an empirical valence bond approach.Nuclear quantum effects in solids using a colored-noise thermostat.Isothermal-isobaric molecular dynamics using stochastic velocity rescaling.Optimal Langevin modeling of out-of-equilibrium molecular dynamics simulations.Accurate sampling using Langevin dynamics.Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamics.Solid state effects on exciton states and optical properties of PPV.Conformational ensembles of RNA oligonucleotides from integrating NMR and molecular simulations.PLUMED: A portable plugin for free-energy calculations with molecular dynamicsCorrection to “Free Energy Landscape of GAGA and UUCG RNA Tetraloops”Bowl Inversion of Surface-Adsorbed SumaneneStructural Role of Uracil DNA Glycosylase for the Recognition of Uracil in DNA Duplexes. Clues from Atomistic SimulationsAb initiocomplex band structure of conjugated polymers: Effects of hydrid density functional theory andGWschemesRNA Unwinding from Reweighted Pulling SimulationsUnravelling the Shuttling Mechanism in a Photoswitchable Multicomponent Bistable RotaxaneConjugate gradient heat bath for ill-conditioned actionsEquilibrium Free Energies from Nonequilibrium MetadynamicsAb-initio study of excitonic effects in conventional and organic semiconductorsQuantum interferences in the Raman cross section for the radial breathing mode in metallic carbon nanotubesInterchain interaction and Davydov splitting in polythiophene crystals: An ab initio approachColored-Noise Thermostats à la Carte
P50
Q27336076-93822E31-C141-40EA-AA01-5C2B199EB6CFQ33912756-F51F2C8F-3A55-40AA-9C5A-ADF13A3B4BBEQ34470106-264F9830-0F66-4930-ACAC-E34F2A3614AEQ34547783-EE6C34DD-BB41-422B-8672-04B223FA5CBEQ35224042-5072AE94-2EE1-421E-9ABC-5225EEA1D18CQ36002495-944419D4-07A2-4C12-A78A-85A592A0CBAFQ38312449-2DA3FA77-F892-4E54-86B6-2C7138910C52Q40298097-7A07175A-2A21-4BD6-BFEF-94F10FF4A7FDQ42537967-DB9D6550-FB7F-4ABA-83A1-C0CF89432236Q43040867-1A7D4E35-8281-45E2-8FB9-90EDF9AE2C8FQ43289091-96925B04-EF40-46ED-A1F9-5FF7616AB300Q46507052-439F2ECA-2330-4C70-9137-AA523B20322CQ47235409-7D37AABA-8872-4843-A624-F2CF2DD87561Q48286826-32CE806F-F5EC-4349-983E-E8E04C2C234DQ48369865-5C7ABD54-DD28-44E9-96B2-CECEA4D2ABC4Q49119989-D294B087-76F4-44A2-99A1-FE49A60914E3Q49259066-2156DA73-EAAE-4E64-9EAD-1A8134B41F43Q50077528-00A8ED41-E611-49B7-A72C-7CAEBB7F06CEQ50772563-176060C7-0A87-4C16-AA27-48FED571AE07Q51542538-693C2DEB-58E1-4246-9CA2-6104596D668EQ51804304-53BE503D-203C-45DF-8706-A204D8B325E2Q51850911-75E69A14-84CF-4329-9C4B-8DBF69FA54FDQ51861858-204618F9-3744-4FB8-BAE2-02648D4B34DDQ51908894-C54A1169-BE0A-48B6-9BF2-CF3526F0B18AQ51931397-D30E5EDE-BFDB-4858-A43F-A7470E892146Q53873827-38EAA502-1C72-4553-B601-1F59A8A2A938Q54987724-93D4F251-193E-4E91-9CA2-090998CE12C8Q56766568-9D9D2F6C-4D94-403C-8E0A-F07A2605B9AEQ57943261-5BCCB24B-E6AF-4674-B3F0-3D12C0B2601FQ57943279-CC59DA1C-C7A0-4959-AFFF-627E72743854Q57943303-97943012-9E21-499A-AFCF-B671D5B5740FQ57943308-157EB22D-DA15-44E4-9063-390E3F321884Q57943314-CD16D702-36B7-488B-9A52-89A669B3890AQ57943353-902B6E69-86E4-43E6-BD7B-5B72AE9A3667Q57943370-9EAC9502-7109-4C9F-92D1-AAF05C1B694AQ57943375-18189851-A039-4724-A9E2-3F19FFC2FF40Q57943382-B3D4C2FC-2587-4E8A-8D31-43110D5A6494Q57943393-7AFF1F43-BB52-47E8-B203-D425A8D48369Q57943417-74503546-B79B-4BB6-993E-AFFF7A4455D3Q58188289-A97EE7EF-31FB-4DE4-B316-F7C7407482BC
P50
description
hulumtues
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Giovanni Bussi
@ast
Giovanni Bussi
@en
Giovanni Bussi
@es
Giovanni Bussi
@nl
Giovanni Bussi
@sl
type
label
Giovanni Bussi
@ast
Giovanni Bussi
@en
Giovanni Bussi
@es
Giovanni Bussi
@nl
Giovanni Bussi
@sl
prefLabel
Giovanni Bussi
@ast
Giovanni Bussi
@en
Giovanni Bussi
@es
Giovanni Bussi
@nl
Giovanni Bussi
@sl
P1053
A-1776-2009
P106
P21
P31
P3829
P496
0000-0001-9216-5782