cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.18805105
title: MDD-Molecular Dynamics Dataset: Collection of protein-ligand complex simulations

description: Dataset is part of the paper: https://chemrxiv.org/engage/chemrxiv/article-details/664c73f6418a5379b0de8152.

This dataset consists of molecular dynamics (MD) simulations of 862 unique protein-ligand complexes, covering a wide range of protein families and diverse chemical classes of ligands. It is derived from publicly available repositories and represents the largest single source of MD simulations to date.

All protein-ligand complexes included in the dataset were prepared following a standardized protocol. Missing atoms in the protein structures were added using the PDBFixer tool. The protein targets were parameterized using the AMBER99SB-ILDN force field, while ligands were parameterized with the ANTECHAMBER module within the ACPYPE tool. Ligand partial charges were determined to match the quantum-mechanically generated electrostatic potential via the Restrained Electrostatic Potential (RESP) method, and the remaining parameters were set using the GAFF2 force field. The molecular dynamics simulations were performed using GROMACS. The simulations were configured in a cubic simulation box with periodic boundary conditions and employed a TIP3P water model within an electrostatically neutral environment. The simulation protocol included an initial minimization cycle, followed by temperature equilibration in the NVT ensemble and pressure equilibration in the NPT ensemble. Production simulations were conducted over a period of 200 ns, with a timestep of 100 ps.

Constructing a large, representative set of MD simulations poses challenges due to the high computational costs and complexities associated with preparing molecular systems. Moreover, given the limited number of suitable training examples (complexes) and the large volume of MD data from each simulation, careful filtering and feature selection are crucial. This dataset is valuable for exploring how molecular dynamics simulation data can be integrated with protein-ligand binding affinity prediction tasks, an essential component of in silico drug discovery pipelines. MD simulations, in particular, offer a dynamic view by illustrating the temporal interactions within protein-ligand complexes, potentially providing additional insights for affinity and specificity estimates.
DOI: 10.25549/lastar-c68-1882
title: Los Angeles Star, vol. 11, no. 41, February 15, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Life's battle field", "From Missouri", [col.4] "Financial", [col.5] "Sketch of Savannah"; [p.2]: [col.1] "The news", "Additional European intelligence", [col.2] "The flood at Fort Yuma", "Mending our ways", [col.3] "From Mexico", "Los Angeles lands and artisen wells -- a great chance for enterprize [sic] and capital", "From the Colorado -- mining news", [col.4] "The homicide at Tehachape", "From New San Pedro", [col.5] "Quarterly Report of M. Kremer, County Treasurer, for the quarter ending February 1st, 1862"; [p.3]: [col.1] "The latest eastern intelligence", [col.2] "Letter from Holcombe Valley"; [p.4]: [col.1] "Lillu", [col.2] "A scene after battle", [col.3] "The best medicine", [col.4] "Office of the State Locating Agent for Los Angeles district, in Los Angeles city".
DOI: 10.25549/lastar-c68-1889
title: Los Angeles Star, vol. 11, no. 43, March 1, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "To-morrow", "A way through Mount Cenis", [col.4] "Wool Growers Association"; [p.2]: [col.1] "The freedom of the press", [col.2] "Correspondence", [col.3] "U.S. Land Claims", "To A__ M__", [col.4] "Intelligence from the East", [col.5] "Further from Europe"; [p.3]: [col.1] "Outrageous fraud on the Shawnee Indians", [col.2] "What is a man's income?"; [p.4]: [col.1] "'Life on the ocean wave'", "What women have done", [col.2] "Hardening of the brain", "The burial place of the kings of England", [col.3] "Night Voicings", "Paddy Ryan and the Prince of Wales", [col.4] "Office of the State Locating Agent for Los Angeles district, in Los Angeles city".
DOI: 10.5281/zenodo.18804729
title: Axisymmetric FMS GCM simulations

description: Axisymmetric GCM simulation results from main simulations presented in Eusebi and Schneider (2026). Each simulation netcdf file has the latitude-sigma profiles for the circulation values (including zonal velocity, meridional velocity, temperature, etc.) for various values of $\phi_0$, the metric of seasonality in the paper. Two datasets are provided: one in which a vertical diffusivity coefficient of 2.0 was used, and one in which a diffusivity coefficient of 5.0 was used. The simulation data was generated by running the FMS script available at https://github.com/ryaneusebi/fms-idealized.
DOI: 10.25549/lastar-c68-1913
title: Los Angeles Star, vol. 11, no. 49, April 12, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "The village Hebe", "Eastern intelligence", [col.4] "Government robberies -- the revelations and confession of Secretary Wells, Geo. Morgan, and others"; [p.2]: [col.1] "The liberty of the press", "A dark cloud coming", [col.2] "Public expenditures", "Daguerreotype of the times", "The geological survey", [col.3] "Legislative", [col.4] "To the two rose buds sent me by two young ladies"; [p.3]: [col.1] "Eastern intelligence"; [p.4]: [col.1] "Lost -- to society lost", [col.2] "Valuable hints to unmarried ladies", [col.3] "The rejected but not hopeless".
DOI: 10.5281/zenodo.18804728
title: Axisymmetric FMS GCM simulations

description: Axisymmetric GCM simulation results from main simulations presented in Eusebi and Schneider (2026). Each simulation netcdf file has the latitude-sigma profiles for the circulation values (including zonal velocity, meridional velocity, temperature, etc.) for various values of $\phi_0$, the metric of seasonality in the paper. Two datasets are provided: one in which a vertical diffusivity coefficient of 2.0 was used, and one in which a diffusivity coefficient of 5.0 was used. The simulation data was generated by running the FMS script available at https://github.com/ryaneusebi/fms-idealized.
DOI: 10.25549/lastar-c68-1917
title: Los Angeles Star, vol. 11, no. 50, April 19, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Spring", "Mineral wealth of California", [col.5] "Eastern items"; [p.2]: [col.1] "A free press", [col.3] "The Governor's manifesto", [col.4] "Intelligence from the East"; [p.4]: [col.1] "Modern slang", "Orpheus C. Kerr at the White House ball".
DOI: 10.25549/lastar-c68-1864
title: Los Angeles Star, vol. 11, no. 37, January 18, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "The lighthouse", "Eastern intelligence", [col.5] "Additional from Europe", "The Civil War in America"; [p.2]: [col.1] "Surrender of Mason and Slidell", [col.2] "President making", "A national bank", [col.3] "San Bernardino correspondence", [col.4] "The Governor's message"; [p.3]: [col.1] "Condition of Sacramento", "How the Mason Slidell affair is promised to look in history"; [p.4]: [col.1] "A fading flower", [col.2] "Price of justice in Russia", [col.3] "Office of the State Locating Agent for Los Angeles district, in Los Angeles city".
DOI: 10.25549/lastar-c68-1862
title: Los Angeles Star, vol. 11, no. 36, January 11, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Father's at the helm", "A young man's first lesson", [col.5] "Army movements"; [p.2]: [col.1] "The Cabinet on slavery", "Overland mail", [col.2] "From Sonora -- the mines, &c", "Mining intelligence", [col.3] "Our new San Pedro correspondence", "The necessity of scientific agriculture", [col.4] "Terrible tragedy", "The Congressional Investigating Committee"; [p.3]: [col.1] "Gold Hill caved in at last", [col.2] "The line of the Potomac -- a fatal reconoisance"; [p.4]: [col.1] "To-morrow", "Extraordinary reports from Carribo", [col.2] "Mother's coming", "Bishop Panch -- Hamlet's advice to the preaching parsons".
DOI: 10.25549/lastar-c68-1869
title: Los Angeles Star, vol. 11, no. 38, January 25, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Matrimonial counsels", "The letters of Mr. Russell", "American sentiments toward England", [col.4] "English ignorance of America", "Case of the rebel envoys -- protest of Messrs. Mason and Slidell"; [p.2]: [col.1] "The passport system", "Execution", [col.2] "The rains -- the flood", [col.3] "Incidents of the flood", [col.4] "City improvements", "The pantelegraph", [col.5] "The news"; [p.3]: [col.1] "The aspect of Congress -- terrible issues before the members", "Wine culture in Australia"; [p.4]: [col.1] "A blessing", "The smile upon the face", "Pretty colonels of volunteers", [col.2] "Vivid portrait of the youthful Henry of Navarre", [col.3] "Office of the State Locating Agent for Los Angeles district, in Los Angeles city".
DOI: 10.25549/lastar-c68-1890
title: Los Angeles Star, vol. 11, no. 43, March 1, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "To-morrow", "A way through Mount Cenis", [col.4] "Wool Growers Association"; [p.2]: [col.1] "The freedom of the press", [col.2] "Correspondence", [col.3] "U.S. Land Claims", "To A__ M__", [col.4] "Intelligence from the East", [col.5] "Further from Europe"; [p.3]: [col.1] "Outrageous fraud on the Shawnee Indians", [col.2] "What is a man's income?"; [p.4]: [col.1] "'Life on the ocean wave'", "What women have done", [col.2] "Hardening of the brain", "The burial place of the kings of England", [col.3] "Night Voicings", "Paddy Ryan and the Prince of Wales", [col.4] "Office of the State Locating Agent for Los Angeles district, in Los Angeles city".
DOI: 10.5281/zenodo.18805101
title: STRATEGIC COOPERATION OF UZBEKISTAN WITH THE G7 COUNTRIES: WAYS OF GLOBAL INTEGRATION AND ECONOMIC MODERNIZATION

description: This article examines the opportunities for elevating Uzbekistan's relations with the G7, the group of the world's most advanced nations, to a new level. The study analyzes the country's recent foreign policy openness, its leadership potential in Central Asia, and institutional reforms. Along with the economic and geopolitical advantages of participating in the G7 format, current barriers and science-based recommendations for overcoming them are presented.
DOI: 10.25549/lastar-c68-1891
title: Los Angeles Star, vol. 11, no. 43, March 1, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "To-morrow", "A way through Mount Cenis", [col.4] "Wool Growers Association"; [p.2]: [col.1] "The freedom of the press", [col.2] "Correspondence", [col.3] "U.S. Land Claims", "To A__ M__", [col.4] "Intelligence from the East", [col.5] "Further from Europe"; [p.3]: [col.1] "Outrageous fraud on the Shawnee Indians", [col.2] "What is a man's income?"; [p.4]: [col.1] "'Life on the ocean wave'", "What women have done", [col.2] "Hardening of the brain", "The burial place of the kings of England", [col.3] "Night Voicings", "Paddy Ryan and the Prince of Wales", [col.4] "Office of the State Locating Agent for Los Angeles district, in Los Angeles city".
DOI: 10.5281/zenodo.18805100
title: STRATEGIC COOPERATION OF UZBEKISTAN WITH THE G7 COUNTRIES: WAYS OF GLOBAL INTEGRATION AND ECONOMIC MODERNIZATION

description: This article examines the opportunities for elevating Uzbekistan's relations with the G7, the group of the world's most advanced nations, to a new level. The study analyzes the country's recent foreign policy openness, its leadership potential in Central Asia, and institutional reforms. Along with the economic and geopolitical advantages of participating in the G7 format, current barriers and science-based recommendations for overcoming them are presented.
DOI: 10.25549/lastar-c68-1971
title: Los Angeles Star, vol. 13, no. 1, May 9, 1863

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Song -- Lizzie dies to-night", "Who are the revolutionists?", [col.4] "War in California", [col.5] "Eastern intelligence"; [p.2]: [col.2] "Adjornment of the legislature", "From the Colorado--important discovery", "Court of Sessions", [col.3] "City election--success of the Democratic City Ticket", [col.4] "Correspondence"; [p.3]: [col.1] "Mexican news", "Another proclamation", "The object of the war", "Abolition Massachusetts"; [p.4]: [col.1] "The love-knot", "Controlling events", "The celibacy of Great Britain", [col.2] "Why salt is healthful", [col.3] "The effort to produce civil war in California".
DOI: 10.25549/lastar-c68-1001
title: Los Angeles Star, vol. 13, no. 2, May 16, 1863

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "The Tories of 1776 and the Abolitionists of 1863", "Lincoln's Nigger Ambassador", "Copperheads vs. Republicans", [col.4] "The Lincoln catechism", "An outrage upon liberty", [col.5] "Important position of Archbishop Hughes on the Washington usurpations"; [p.2]: [col.1] "War news", "The New York Times and the 'Dutch'", [col.2] "Free America", "Democratic convention", "Big Indian", "Grasshoppers", [col.3] "General Orders -- No. 15, Head Quarters, Camp Drum, New San Pedro", "Correspondence", [col.5] "Eastern intelligence"; [p.3]: [col.1] "Democratic State Central committee"; [p.4]: [col.1] "Bachelor's hall", "The last expedient", [col.2] "Inside view of Dixie", The Santa Cruz Powder Mill".
DOI: 10.25549/lastar-c68-1008
title: Los Angeles Star, vol. 13, no. 3, May 23, 1863

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "A lover's confession", "From England", [col.4] "Copperheads", [col.5] "Eastern intelligence"; [p.2]: [col.1] "Notice", "War dispatches", "Democratic organ", "Mayor's message", [col.2] "Democratic convention -- Orville", "The union of the Democracy", [col. 3] "Board of Supervisors", "Stone coal", "Common Council", "Fatal accident", "Sewardisms", [col.4] "Mayor's message", [col.5] "Report of the City Treasurer, May 14th, 1863"; [p.3]: [col.1] "Eastern intelligence", "From Europe"; [p.4]: [col.1] "St. Bridget", "California wine", "A century's change", "The author of the "Nazareno" thus speaks of President Jackson: ...", "Gossip in the country church", [col.2] "About cloves and allspice", "The Union leagues", "Getting on", "Seats at table", [col.3] "Copperheads".
DOI: 10.15468/dl.u5n8p3
title: Occurrence Download

description: A dataset containing 6572 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is India",
 "TaxonKey is Aviceda leuphotes",
 "Year 2001-2026"
 ]
}

 The dataset includes 6572 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002535-260226173443078/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/lastar-c68-1009
title: Los Angeles Star, vol. 13, no. 3, May 23, 1863

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "A lover's confession", "From England", [col.4] "Copperheads", [col.5] "Eastern intelligence"; [p.2]: [col.1] "Notice", "War dispatches", "Democratic organ", "Mayor's message", [col.2] "Democratic convention -- Orville", "The union of the Democracy", [col. 3] "Board of Supervisors", "Stone coal", "Common Council", "Fatal accident", "Sewardisms", [col.4] "Mayor's message", [col.5] "Report of the City Treasurer, May 14th, 1863"; [p.3]: [col.1] "Eastern intelligence", "From Europe"; [p.4]: [col.1] "St. Bridget", "California wine", "A century's change", "The author of the "Nazareno" thus speaks of President Jackson: ...", "Gossip in the country church", [col.2] "About cloves and allspice", "The Union leagues", "Getting on", "Seats at table", [col.3] "Copperheads".
DOI: 10.25549/lastar-c68-1042
title: Los Angeles Star, vol. 13, no. 8, June 27, 1863

description: The English weekly newspaper, Los Angeles Star includes headings: p.1]: [col.2] "Democratic State Central Committee", [col.3] "June -- by Ina", "Letter from Orpheus C. Kerr", [col.5] "Proscription of the adopted citizens in Rhode Island -- The infamous features of the Rhode Island Constitution", "The Butte call"; [p.2]: [col.1] "Polical prospects", "Gubernatorial", "Road improvements", [col.2] "Masonic celebration -- Address of Judge Dryden", [col.3] "Religious intelligence", "War news", "Conness convention", [col.4] "What will the rebel generals next do?", "Defines his position", [col.5] "The President"; [p.3]: [col.1] "Eastern intelligence", [col.2] "New England Federalism and modern abolitionism"; [p.4]: [col.1] "Spring", "Queen Victoria's daily life", [col.3] "Copperhead in the White House", "Jefferson's democratic ideas".
DOI: 10.25549/lastar-c68-1150
title: Los Angeles Star, vol. 10, no. 21, September 29, 1860

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Song of the Union", "The vineyards of France", [col.4] "Election of president by the House of Representatives -- the election of 1801", [col.5] "First firing of the Floyd Gun"; [p.2]: [col.1] "National Democratic Nominations. For President, John C. Breckinridge of Kentucky. For Vice President, Joseph Lane of Oregon", "Speech of Mr. Breckinridge", "The campaign -- our prospects", [col.2] "From the Colorado -- arrival of Lt. Beale -- Fort Defiance captured by the Indians", "Port of San Pedro", [col.3] "Baltimore correspondence", "From San Bernardino"; [p.3]: [col.1] "From Sonora", "Obituary", [col.2] "Stephen anxious to see his mother"; [p.4] "Stephen in search of his mother", [col.2] "An act to provide for paying certain equitable claims against the state of California".
DOI: 10.25549/lastar-c68-1557
title: Los Angeles Star, vol. 10, no. 26, November 3, 1860

description: The weekly newspaper, Los Angeles Star has p.[1-4] in English and p.[4], col.[2] in Spanish, includes headings: [p.1]: [col.3] "Thoughts of home", "'Pretentious upstarts'", [col.4] "To the voters of Los Angeles county", "Board of Supervisors, Los Angeles County, Tuesday, February 14, 1860", "To the Hon. the Board of Supervisors of the county of Los Angeles", [col.5] "Arrival of the Pony Express"; [p.2]: [col.1] "National Democratic Nominations. For President, John C. Breckinridge of Kentucky. For Vice President, Joseph Lane of Oregon", "To the Democracy", "Mr. King and the Fee-Bill", "To Bell and Everett voters", "Lines omitted by Pope", [col.2] "From lower California", "Later from lower California", [col.3] "A rabbid black", [col.4] "Telegraphic. Arrival of the Pony Express. Per Pacific and Atlantic telegraph", "Political intelligence", "Theatricals"; [p.3]: [col.1] "Board of Supervisors. State of California, County of Los Angeles. Session of October 8th, A.D., 1860"; [p.4]: [col.1] "An act to provide for paying certain Equitable Claims...", [col.2] "Junta de Supervisores. Proclamacion de Eleccion", [col.3] "State of California, City of Los Angeles. In the District Court of the First Judicial District".
DOI: 10.25549/lastar-c68-1559
title: Los Angeles Star, vol. 10, no. 27, November 10, 1860

description: The weekly newspaper, Los Angeles Star has p.[1-4] in English and p.[2], col.[3] in Spanish. Includes headings: [p.1]: [col.3] "Life and Love", "Our dog Jock", "Soliloquy of the Spirit over its clay", [col.4] "Official vote of Los Angeles Precinct", "An amiable amusement of the lion", [col.5] "Sophie and Mirabeau -- their first acquaintance and subsequent intimacy"; [p.2]: [col.1] "Our county election -- Breckinridge victory!", "The election", "City assessment roll", [col.2] "Murder by a Negro", "Interesting to business men -- the stationary trade", [col.3] "A la prematura muerte de Ignacio F. Coronel", [col.4] "Telegraphic. Arrival of the Pony Express. Per Pacific and Atlantic telegraph", "Political", "Foreign news", "State election news"; [p.4]: [col.1] "An act to provide for paying certain equitable claims against the state of California", [col.2] "Board of Supervisors. State of California, county of Los Angeles. Session of October 8th, A.D. 1860".
DOI: 10.25549/lastar-c68-1548
title: Los Angeles Star, vol. 10, no. 29, November 24, 1860 + supplement in Spanish

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Lord, Thou art great", "The two roses", [col.4] "Telegraphic. Arrival of the Pony Express. Per Pacific and Atlantic telegraph"; [p.2]: [col.1] "Los Angeles county electoral ticket -- official", "San Bernardino", "Court of sessions", "Board of Supervisors -- Tuesday, Nov. 15, 1860", [col.2] "From San Bernardino", "Township officers", "Valuable California publications", [col.3] "Telegraphic. Arrival of the Pony Express. Per Pacific and Atlantic telegraph", "The Legislature", [col.4] "To Mrs. T__, on the death of her infant", "Sabbath at home"; [p.3] "A glimpse at Rio Janeiro -- the newspapers of Brazil", "The fortress of Cueta"; [p.4]: [col.1] "Personal sketches of Garibaldi".; Spanish supplement includes heading: p[1]: [col.1] "Lista Delincuente de las contribuciones, para objectos del estado y condado por el año de 1860".
DOI: 10.25549/lastar-c68-1161
title: Los Angeles Star, vol. 10, no. 30, December 1, 1860

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "A dream of imagination", [col.4] "Letter from San Francisco", "Republicans rejoicing", "The Reporter's Union ball", [col.5] "Arrival of the Pony Express. Per Pacific and Atlantic telegraph", "Secession movements", "European intelligence"; [p.2]: [col.1] "The wines of California", [col.2] "Letter from San Francisco", "Funeral of Maj. J.B. Scott", "Death of another soldier", [col.3] "The report of the Grand Jury reviewed", [col.5] "Secession movements", "The stationary house of A.L. Bancroft & Co., San Francisco"; [p.3]: [col.1] "Deliquent tax list for the state and county for the year 1860"; [p.4]: [col.1] "Election intelligence".
DOI: 10.25549/lastar-c68-1987
title: Los Angeles Star, vol. 11, no. 51, April 26, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Mutual forbearance", "Eastern intelligence"; [p.2]: [col.1] "Indian troubles -- need of military assistance", "Los Angeles wine", "Chemistry applied to grape culture", [col.2] "Indian depredations -- battle with the Indians. Nine lives lost", [col.3] "The Haraszthy job"; [p.3]: [col.1] "Eastern intelligence"; [p.4]: [col.1] "My soul is dark", "Winter's passing", [col.2] "The rapidity of poisons", "A french priest demanding marriage", "An abolition nullifier".
DOI: 10.25549/lastar-c68-740
title: Los Angeles Star, vol. 12, no. 2, May 17, 1862

description: The English weekly newspaper, Los Angeles Star includes headings: [p.1]: [col.3] "Deal with me kindly", "Letter from Orpheus C. Kerr", [col.4] "Bogus guns ant Centreville", [col.5] " A mild punishment for a gross outrage"; [p.2]: [col.1] "Confiscation bills -- the military order", [col.3] "Spring-side", "The San Bernardino educational convention" [col.4] "Correspondence", "Ex-President Pierce and an alleged conspiracy in Michigan against the government", [col.5] "Quarterly report of M. Kremer, county treasurer, for the quarter ending May 3d, 1862"; [p.3]: [col.1] "Eastern intelligence"; [p.4]: [col.1] "A trip to Salmon", [col.2] "'The course of true love'".