Tag: Computational chemistry

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Recent Related Articles to Computational chemistry

Cleveland Clinic, IBM apply quantum computing to protein research

Added to Collection on: 2024-05-29 17:41:34

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Protein structure
Quantum computing
Bioinformatics
Quantum algorithm
Theoretical computer science
Protein structure prediction
Foldit
Computational chemistry
IBM
Hakan Doga

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AI Models Complex Molecular States with Precision - Neuroscience News

Added to Collection on: 2024-08-26 00:37:58

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Quantum chemistry
Variational Monte Carlo
Quantum dot
Computational chemistry
Diatomic molecule
Molecule
Chemistry
Electron configuration
Chemical bond
Excited state
Deep learning
Machine learning in physics

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New funding will help scientists develop drugs for myotonic dystrophy - PharmiWeb.com

Added to Collection on: 2024-10-07 17:31:59

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Quantum cryptography
Quantum information science
Theoretical computer science
Quantum computing
Classes of computers
Quantum engineering
QuEra Computing Inc.
Computational chemistry
Quantum mechanics
Quantum network
Quantinuum

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U.S. Department of Energy Launches $30 Million Program for Quantum-Powered Chemistry ...

Added to Collection on: 2024-10-25 10:56:55

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Quantum computing
Computational complexity theory
Quantum cryptography
Classes of computers
Theoretical computer science
Computational chemistry
Quantum supremacy
DARPA
Casino
Quantinuum
Microsoft Azure Quantum
u.s. department of energy
advanced research projects agency

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VirtuDockDL: A Deep Learning-Powered Platform for Accelerated Drug Discovery through ...

Added to Collection on: 2024-11-19 13:17:14

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Drug discovery
Molecular modelling
Bioinformatics
Computational chemistry
Free and open-source software
AutoDock
Virtual screening
Docking
High-throughput screening
Cheminformatics
Drug design

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Template-based modeling of insect odorant receptors outperforms AlphaFold3 for ligand ...

Added to Collection on: 2024-11-23 18:16:37

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Protein structure
Bioinformatics
Computational chemistry
Docking
Drug discovery
Molecular modelling
Ligand

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The Keys to Life - Brownstone Research

Added to Collection on: 2024-12-26 22:25:38

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Applied machine learning
Bioinformatics
Protein folding
Protein structure
Computational chemistry
AlphaFold
Google DeepMind
CASP
Protein structure prediction
Global distance test
AlphaGo
Demis Hassabis
Jeff Want

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Toward video generative models of the molecular world | MIT News

Added to Collection on: 2025-01-23 17:19:41

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Computational chemistry
Molecular dynamics
Molecular modelling
Simulation
Generative artificial intelligence
MIT Computer Science and Artificial Intelligence Laboratory
Artificial intelligence

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Reid Hoffman-backed AI drug discovery startup Manas AI launches with $24.6M

Added to Collection on: 2025-01-28 05:49:35

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Drug discovery
Molecular modelling
Bioinformatics
Medicinal chemistry
Computational chemistry
Docking
Artificial intelligence
Small molecule
Molecular Operating Environment

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From Classical Regression to AI and Beyond: The Chronicles of Calibration in Spectroscopy: Part I

Added to Collection on: 2025-02-14 19:49:25

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Analytical chemistry
Cheminformatics
Chemometrics
Computational chemistry
Metrics
Analytical chemists
Near-infrared spectroscopy
Svante Wold
Herman Wold
Partial least squares regression
Tormod Næs

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