:: Library Catalog

Imagen de Portada

Guardado en:

Detalles Bibliográficos
Autores principales:	Wang, Lily, Horton, Joshua, Boothroyd, Simon, Alibay, Irfan, Thompson, Matthew W.
Formato:	Recurso digital
Lenguaje:
Publicado:	Zenodo 2025
Materias:	partial charges gcnn force field molecular dynamics openforcefield
Acceso en línea:	https://doi.org/10.5281/zenodo.16911559
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

MOLECULAR REACTIVITY PARAMETERS
por: Lima, Francisco José Santos, et al.
Publicado: (2007)

Dynamics of Charged Particles and their Radiation Field
por: Spohn, Herbert
Publicado: (2023)

Vacuum energies and multipole interactions
por: F.A. Barone
Publicado: (2010)

Non-Markovian decoherence in donor-based charge quantum bits
por: F. Lastra
Publicado: (2011)

Structural and electro-thermal analysis of a magnetic resonant sensor structure based on Lorentz force
por: E. Morales-González
Publicado: (2006)

Applications and limitations of the colloid titration method for measuring activated sludge surface charges
por: Haugaard, L
Publicado: (2003)

Biomolecules
Publicado: (2013)

Academic women: A study on the queen bee phenomenon
por: Manoel B. Gomes
Publicado: (2022)

The Proton as an Icosahedral Three-Phase Motor
por: Keeble, Clifford
Publicado: (2026)

Dynamics and Energetics of a Bromodomain in complex with bromosporine from Leishmania donovani
por: Georcki Ropón-Palacios
Publicado: (2023)

AlphaDynamics: A compact per-system phase-flow surrogate for protein torsion dynamics
por: Gwozdz, Krzysztof
Publicado: (2026)

Current Research in Structural Biology
Publicado: (2020)

Conformational Ensemble Dynamics of Intrinsically Disordered Full-Length α- and β-Synuclein Monomers
por: Zhongyue, Lv, et al.
Publicado: (2025)

Theoretical Prediction of Physical Properties (Viscosity) on 2D-based Nanofluids
por: José Taha-Tijerina
Publicado: (2017)

Molly - A Fast Reader and Writer for the XTC File Format
por: Marieke Westendorp
Publicado: (2026)

人类第一个精确可解多体引力方程,及天体磁场本源——引力就是库仑力 The First Exactly Soluble Multi-Body Gravitational Equation, the Origin of Astrophysical Magnetic Fields, and Gravity as the Coulomb Force
por: 王江祁
Publicado: (2026)

Leynstrinsic Field Theory - Dynamics: Connectivity Field and Emergent Gravity
por: Pillay, Joquin Leyn
Publicado: (2026)

External Electric Field Effects on Electronic Properties of a Candidate Eco-friendly Biopolymer and Its Anticorrosive Properties in Acidic Media
por: Safari, Reza, et al.
Publicado: (2021)

MD and QM/MM simulation dataset for "Enzymes can activate and mobilize dense biomolecular condensates across scales"
por: Yagi, Kiyoshi, et al.
Publicado: (2026)

CONFINEMENT EFFECTS ON MIXED STATE IN SUPERCONDUCTING PRISMS
por: JOSE JOSE BARBA ORTEGA
Publicado: (2011)

Mesoscopic simulation of Brownian particles confined in harmonic traps and sheared fluids
por: J. Fernández
Publicado: (2015)

A Unified Framework for Substrate Dynamics
por: Christopher M. Pati
Publicado: (2026)

CC×A — Chromatic Context × Aura Dynamics: A Situational Reconstruction Model for Ambient Systems
por: Eissens, Raynor
Publicado: (2026)

Smart wireless charging architecture for electric vehicles using resonant inductive coupling and low-component design
por: Mahidhar, Devarakonda, et al.
Publicado: (2025)

A Strontium Titanate Crystal Sphere with Oriented Cobalt Ferrite Inclusions: A QMU–APM Experimental Test Instrument Based on Rotating Magnetic Field Encoding
por: Thomson, David
Publicado: (2025)

Bulking in activated sludge plants treating paper mill wastewaters
por: Thompson, G., Forster, C
Publicado: (2003)

AlphaDynamics: A Per-System Phase-Flow Propagator for Protein Torsion Dynamics with Calibrated Rollout Fidelity
por: Gwozdz, Krzysztof
Publicado: (2026)

AlphaDynamics: A Per-System Phase-Flow Propagator for Protein Torsion Dynamics with Calibrated Rollout Fidelity
por: Gwozdz, Krzysztof
Publicado: (2026)

Lightning on Mars (msf:48270): A USP Field Theory Explanation of Dust-Devil Micro-Discharges
por: Sepehri, Sadegh
Publicado: (2025)

On the morse potential in liquid phase and at liquid-vapor interface
por: U.F. Galicia-Pimentel
Publicado: (2006)

2D radial distribution function of silicene
por: M.R. Chávez-Castillo
Publicado: (2012)

In Silico Research in Biomedicine
Publicado: (2025)

O corpo do manifestante das Jornadas de Junho de 2013: a charge e o editorial da Folha de São Paulo
por: Marcos Rogério Martins Costa
Publicado: (2016)

A mídia, o sagrado e as imposturas da imagem: implicações semióticas das charges de Maomé
por: Alberto Klein
Publicado: (2008)

(Experiment 3b) Shell crushing force for eastern oysters Crassostrea virginica reared under variable predation conditions (laboratory study)
por: Scherer, Avery E, et al.
Publicado: (2018)

Natura Simplex IV : towards an emergent electronic structure
por: Orta, Philippe
Publicado: (2026)

Generative Field Theory: A Unified Variational Formulation of Generativity
por: Doy, David Michael
Publicado: (2026)

Dataset for Melting Behavior and Phase Stability of CaO from Neural Network Potentials
por: Menescardi, Francesca
Publicado: (2026)

European Journal of Cell Biology
Publicado: (2021)

Magnetism as a Structural Routing Constraint in Physical Systems
por: Doumbouya, Lisa Michelle
Publicado: (2026)