Top Tweets for #ApplicationNotes
#ApplicationNotes
Solid-State Half-Integer Quadrupolar NMR ①～⑧
①Basic Concepts
②1D measurements
・
・
⑧High Sensitivity MQMAS Measurements
Please click here and chech them.
https://t.co/2Klq7Gl170
#JEOL
Cluster-MLP: An Active Learning Genetic Algorithm Framework for Accelerated Discovery of Global Minimum Configurations of Pure and Alloyed Nanoclusters #deeplearning
https://t.co/x8LQDzyAs4
#JCIM Vol63 Issue20 #ApplicationNotes
AmberTools #AmberTools #AmberTools23 #Amber
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@vwcruzeiro @awgoetz @KurtzmanTom @TylerLuchko @MaduManathunga @daniel_r_roe @adrian_roitberg @NaganMaria @kmerz1
#JCIM Vol63 Issue20 #ApplicationNotes
YASARA Model–Interactive Molecular Modeling from Two Dimensions to Virtual Realities #VirtualReality
https://t.co/1a2Sl3DczF
#JCIM Vol63 Issue20 #ApplicationNotes
CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules #DrugDesign
https://t.co/3CZAZo0cfq
#JCIM Vol63 Issue20 #ApplicationNotes
Augmented Reality for Enhanced Visualization of MOF Adsorbents
https://t.co/bjW3kmi2wc
@lawsonglasby @oktavian_rama @cordiner_joan @JasonColeCCDC @MoghadamPeyman @ccdc_cambridge
#JCIM Vol63 Issue19 #ApplicationNotes
NNP/MM: Accelerating Molecular Dynamics Simulations with Machine Learning Potentials and Molecular Mechanics #MolecularDynamics #MachineLearning
https://t.co/X4v5lZUMig
@jchodera @gdefabritiis @openmm_toolkit @acellera
#JCIM Vol63 Issue18 #ApplicationNotes
#PyConSolv: A Python Package for Conformer Generation of (Metal-Containing) Systems in Explicit Solvent #MolecularDynamics
https://t.co/3G7ueo7DVe
@PodewitzLab
#JCIM Vol63 Issue17 #ApplicationNotes
Rapid and Automated Ab Initio Metabolite Collisional Cross Section Prediction from SMILES Input
https://t.co/njMtxGiNQU
@DrSusantaDas
#JCIM Vol63 Issue16 #ApplicationNotes
FFMDFPA: A FAIRification Framework for Materials Data with No-Code Flexible Semi-Structured Parser and Application Programming Interfaces #FAIRData
https://t.co/8TFmoYwcxq
#JCIM Vol63 Issue16 #ApplicationNotes
SANS Spectra with PLUMED: Implementation and Application to Metainference #MolecularDynamics
https://t.co/MMSgA2LmvB
@bitelaum
#JCIM Vol63 Issue16 #ApplicationNotes
PREFER: A New Predictive Modeling Framework for Molecular Discovery #cheminformatics #MachineLearning #DeepLearning
https://t.co/noAsXQfXHV
@nhfechner @hubert_misztela @MaziarzKris @marwinsegler @foo_fighterin
#JCIM Vol63 Issue15 #ApplicationNotes
SurfPB: A GPU-Accelerated Electrostatic Calculation and Visualization Tool for Biomolecules #cheminformatics #MolecularModeling
https://t.co/bZKHz8Je7k
#JCIM Vol65 Issue13 #ApplicationNotes
The NCIWEB Server: A Novel Implementation of the Noncovalent Interactions Index for Biomolecular Systems #cheminformatics #compchem
https://t.co/6lzcHU2ooB
@ruben_laplaza @LCT_UMR7616
#JCIM Vol63 Issue15 #ApplicationNotes
DrugEx: #DeepLearning Models and Tools for Exploration of Drug-Like Chemical Space #cheminformatics #compchem
https://t.co/ePAOlByRiM
@martin_sicho @sohvi_luukkonen @GJPvWesten
Vol63 Issue12 #JCIM #ApplicationNotes
AREA-AFFINITY: A Web Server for Machine Learning-Based Prediction of Protein–Protein and Antibody–Protein Antigen Binding Affinities #MachineLearning #cheminformatics #compchem
https://t.co/uhaTBiv0rj
Vol63 Issue11 #JCIM #ApplicationNotes
AI4Green: An Open-Source ELN for Green and Sustainable Chemistry #cheminformatics #ΑΙ #Ψηεμιστρυ
https://t.co/INWdWWspgU
@jonathandhirst
Vol63 Issue10 #JCIM #ApplicationNotes
Gmx_qk: An Automated Protein/Protein–Ligand Complex Simulation Workflow Bridged to MM/PBSA, Based on Gromacs and Zenity-Dependent GUI for Beginners in MD Simulation Study #compchem #MolecularDynamics #cheminformatics
https://t.co/e9xpDTAn8n
Vol63 Issue9 #JCIM #ApplicationNotes
MiMiCPy: An Efficient Toolkit for MiMiC-Based QM/MM Simulations #MolecularDynamics #QMMM #cheminformatics
https://t.co/dsBfomQnkA
@_andrealevy @PhiloSophieKatt @foeroyingur @Paolo__Carloni
Vol63 Issue5 #JCIM #ApplicationNotes
ChemFlow─From 2D Chemical Libraries to Protein–Ligand Binding Free Energies #FreeEnergy #Docking #compchem #cheminformatics
https://t.co/WkCHou8AHz
@monari_luca @cedricbouysset
Vol63 Issue2 #JCIM #ApplicationNotes
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