Cargando…

Correction to: Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory

Detalles Bibliográficos
Autores principales:	Stylianakis, Ioannis, Zervos, Nikolaos, Lii, Jenn-Huei, Pantazis, Dimitrios A., Kolocouris, Antonios
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Springer International Publishing 2023
Materias:	Correction
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10618347/ https://www.ncbi.nlm.nih.gov/pubmed/37773475 http://dx.doi.org/10.1007/s10822-023-00531-3

Ejemplares similares

Conformational energies of reference organic molecules: benchmarking of common efficient computational methods against coupled cluster theory
por: Stylianakis, Ioannis, et al.
Publicado: (2023)

Study of SQ109 analogs binding to mycobacterium MmpL3 transporter using MD simulations and alchemical relative binding free energy calculations
por: Stampolaki, Marianna, et al.
Publicado: (2023)

Molecular Biophysics of Class A G Protein Coupled Receptors–Lipids Interactome at a Glance—Highlights from the A(2A) Adenosine Receptor
por: Tzortzini, Efpraxia, et al.
Publicado: (2023)

Redox Isomerism in the S(3) State of the Oxygen‐Evolving Complex Resolved by Coupled Cluster Theory
por: Drosou, Maria, et al.
Publicado: (2021)

Reconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics
por: Drosou, Maria, et al.
Publicado: (2022)

Benchmark Study of the Electronic States of the LiRb Molecule: Ab Initio Calculations with the Fock Space Coupled Cluster Approach
por: Skrzyński, Grzegorz, et al.
Publicado: (2023)

Virtual reference benchmarks
por: Primary Research Group
Publicado: (2014)

Learning commons benchmarks
por: Primary Research Group
Publicado: (2015)

PET Diagnostic Molecules Utilizing Multimeric Cyclic RGD Peptide Analogs for Imaging Integrin α(v)β(3) Receptors
por: Liolios, Christos, et al.
Publicado: (2021)

The CERN benchmarking cluster
por: Iribarren, Alex
Publicado: (2008)

Accurate Computation of the Absorption Spectrum of Chlorophyll a with Pair Natural Orbital Coupled Cluster Methods
por: Sirohiwal, Abhishek, et al.
Publicado: (2020)

Accurate Excited-State Geometries: A CASPT2 and Coupled-Cluster Reference Database for Small Molecules
por: Budzák, Šimon, et al.
Publicado: (2017)

Distinguished Contributions in the Fields of Biomedical and Environmental Applications Incorporating Nanostructured Materials and Composites in Journal Molecules
por: Stylianakis, Minas M.
Publicado: (2021)

Physical Nature of Differential Spin-State Stabilization of Carbenes by Hydrogen and Halogen Bonding: A Domain-Based Pair Natural Orbital Coupled Cluster Study
por: Ghafarian Shirazi, Reza, et al.
Publicado: (2019)

Identifying Conformational Isomers of Organic Molecules in Solution via Unsupervised Clustering
por: Marinova, Veselina, et al.
Publicado: (2021)

Exploring the Conformers of an Organic Molecule on a Metal Cluster with Bayesian Optimization
por: Fang, Lincan, et al.
Publicado: (2023)

Clustering benchmark datasets exploiting the fundamental clustering problems
por: Thrun, Michael C., et al.
Publicado: (2020)

Ionization Energies and Redox Potentials of Hydrated Transition Metal Ions: Evaluation of Domain-Based Local Pair Natural Orbital Coupled Cluster Approaches
por: Bhattacharjee, Sinjini, et al.
Publicado: (2022)

Conceptual framework and pilot study to benchmark phylogenomic databases based on reference gene trees
por: Boeckmann, Brigitte, et al.
Publicado: (2011)

Strong Coupling between Localized Surface Plasmons and Molecules by Coupled Cluster Theory
por: Fregoni, Jacopo, et al.
Publicado: (2021)

Meeting the Challenge of Magnetic Coupling in a Triply-Bridged Chromium Dimer: Complementary Broken-Symmetry Density Functional Theory and Multireference Density Matrix Renormalization Group Perspectives
por: Pantazis, Dimitrios A.
Publicado: (2019)

Improved Brassica rapa reference genome by single-molecule sequencing and chromosome conformation capture technologies
por: Zhang, Lei, et al.
Publicado: (2018)

A common conformationally coupled ATPase mechanism for yeast and human cytoplasmic HSP90s
por: Vaughan, Cara K, et al.
Publicado: (2009)

MoleculeNet: a benchmark for molecular machine learning
por: Wu, Zhenqin, et al.
Publicado: (2017)

An open resource for accurately benchmarking small variant and reference calls
por: Zook, Justin M., et al.
Publicado: (2019)

A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
por: Kozma, Balázs, et al.
Publicado: (2020)

Using Open Data to Rapidly Benchmark Biomolecular Simulations: Phospholipid Conformational Dynamics
por: Antila, Hanne S., et al.
Publicado: (2021)

Benchmarking common quantification strategies for large-scale phosphoproteomics
por: Hogrebe, Alexander, et al.
Publicado: (2018)

Higgs Pair Production: Choosing Benchmarks With Cluster Analysis
por: Carvalho, Alexandra, et al.
Publicado: (2015)

Distance-based clustering challenges for unbiased benchmarking studies
por: Thrun, Michael C.
Publicado: (2021)

Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n-Alkane Chains
por: Santra, Golokesh, et al.
Publicado: (2022)

Coupled Cluster Semiclassical Estimates of Experimental Reaction Rates: The Interconversion of Glycine Conformer VIp to Ip
por: Mandelli, Giacomo, et al.
Publicado: (2023)

Extensive sequencing of seven human genomes to characterize benchmark reference materials
por: Zook, Justin M., et al.
Publicado: (2016)

Reference state and benchmark concepts for better biodiversity conservation in contemporary ecosystems
por: McNellie, Megan J., et al.
Publicado: (2020)

Author Correction: Improved Brassica rapa reference genome by single-molecule sequencing and chromosome conformation capture technologies
por: Zhang, Lei, et al.
Publicado: (2019)

Benchmark Ab Initio Determination of the Conformers, Proton Affinities, and Gas-Phase Basicities of Cysteine
por: Nacsa, András B., et al.
Publicado: (2022)

Comparison of Density Functional and Correlated Wave Function Methods for the Prediction of Cu(II) Hyperfine Coupling Constants
por: Gómez‐Piñeiro, Rogelio J., et al.
Publicado: (2020)

A benchmark study of sequence alignment methods for protein clustering
por: Wang, Yingying, et al.
Publicado: (2018)

Swarm Intelligence Algorithms in Text Document Clustering with Various Benchmarks
por: Selvaraj, Suganya, et al.
Publicado: (2021)

Benchmark study for evaluating the quality of reference genomes and gene annotations in 114 species
por: Park, Sinwoo, et al.
Publicado: (2023)

Cannot write session to /tmp/vufind_sessions/sess_cv1jik7kcm8dngbekmp2t6p2t6