JCIM & JCTC Journals

Tweets from Journal of Chemical Information and Modeling (JCIM) and Journal of Chemical Theory and Computation (JCTC) from @ACSPublications

[JCIM & JCTC Journals @JCIM_JCTC]

📢 Check the new Volume 66 Issue 15 of #JCIM https://t.co/lt15nGMOu4

[JCIM & JCTC Journals @JCIM_JCTC]

Extending the Python RESP Framework for Extra Point Charge Fitting
https://t.co/E3cYp6sxgI
#JCIM Vol66 Issue16 #ApplicationNote

[JCIM & JCTC Journals @JCIM_JCTC]

Surface Adsorption and Geometry Evaluator (SAGE): An Interactive Workflow Platform for Standardized Surface Adsorption Screening
https://t.co/PY2njiCOLj
#JCIM Vol66 Issue16 #ApplicationNote

[JCIM & JCTC Journals @JCIM_JCTC]

Odor-Sight: An Interpretable Graph Neural Network Web Platform for Prediction of Odorant Activity
https://t.co/Zb5YkaqfBU
#JCIM Vol66 Issue16 #ApplicationNote

[JCIM & JCTC Journals @JCIM_JCTC]

📢 Check the new Volume 66 Issue 16 of #JCIM https://t.co/yAh9tN0wUe

[JCIM & JCTC Journals @JCIM_JCTC]

#HighlightoftheWeek Protein fight.
#compchem

[Sergey Ovchinnikov @sokrypton]

Finally a more intuitive way to learn pLDDT/pAE? 😎
https://t.co/1YWv3AK1cU

(Character idea from @HannesStaerk & Alex Waldherr)

[Alvascience @alvascience]

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips

Quasi-Wiener index has been proposed in "A novel definition of the Wiener index for trees" via @JCIM_JCTC https://t.co/rnZ8Ha0dmS

Check #alvaDesc at: https://t.co/XvCDHIBg2o

[Liel Sapir @LielS5]

Excited to share our new paper on the structural dynamics of TAS2R14 GPCR and its two ligand binding sites, with Alon Rainish and @masha_niv now published in the Journal of Chemical Information and Modeling (JCIM)! @ACSPublications @JCIM_JCTC

https://t.co/TeuJgkoqKW

[Alvascience @alvascience]

#descriptoroftheday #moleculardescriptors #qsar #cheminformatics #alvatips

First Mohar index has been proposed in "A novel definition of the Wiener index for trees" via @JCIM_JCTC https://t.co/rnZ8Ha0dmS

Check #alvaDesc at: https://t.co/XvCDHIBg2o

[Andre Silva Pimentel @AS_Pimentel]

Enjoy reading our @ACSPublications @JCIM_JCTC paper on
Explainable Artificial
Intelligence to Unveil Patterns
of Antioxidant Peptides for Free Radical Regulation https://t.co/F66wvJJPBr

[JCIM & JCTC Journals @JCIM_JCTC]

EnerBridge-DPO: Energy-Aware Markov Bridge Inverse Folding for Protein Sequence Design
https://t.co/fjhIynuhyu
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

TextDTI: A Multimodal Context Representation Learning Framework for Drug–Target Interaction Prediction
https://t.co/Dbh3MqwyQ2
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

DisoPatho: A Cross-View Feature-Adaptive Interaction Encoding Framework for Predicting Disease-Associated Variants in Intrinsically Disordered Regions
https://t.co/QgQYuW5gCU
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

Multimodal Information-Driven Heterogeneous Graph Neural Networks for Protein–Ligand Binding Affinity Prediction
https://t.co/RxV3NibqLK
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

An Interpretable Deep Learning Framework Leveraging RNA Foundation Model and Capsule Networks for Accurate Prediction of RNA 2′-O-Methylation Sites
https://t.co/hiBsdn8Af0
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

ESM2-BiMamba: A Length-Adaptive Hybrid Framework for Efficient Concurrent Prediction of DNA-Binding Proteins and DNA-Binding Residue Sites
https://t.co/M4AdrlOQz1
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

A Single-Cell Guided Machine Learning Model Predicts Response to Immune Checkpoint Inhibitors in Gastric Cancer
https://t.co/xZTbO299t6
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

EECFS: Efficient Ensemble Causal Feature Selection for High-Dimensional Molecular Data
https://t.co/UnCwkwAyms
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

GatedGeoGO:Multi-Modal Geometry-Aware Network with Gated Fusion and GO Semantic Attention for Protein Function Prediction
https://t.co/SijaPsuZL4
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

Structural Characterization of the Type IV Secretion System in Brucella melitensis for Virtual Screening-Based Therapeutic Targeting
https://t.co/Tps7VWFb06
#JCIM Vol66 Issue15 #Bioinformatics

[JCIM & JCTC Journals @JCIM_JCTC]

IPM-DTI: An Interaction-Pattern-Driven Multimodal Framework for Drug–Target Interaction Prediction via Knowledge Graphs
https://t.co/tODA07G0VM
#JCIM Vol66 Issue15 #Bioinformatics