Issue6 - Search

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株式会社大垣書店 @booksogaki

May 30

「#TAG文具まつり」ウルフ舎さまと出展中です🐺 やはり今回初お披露目の文具袋が大人気💡 『KYOTO MAGAZINE』Issue６も販売しています。旅のお供にいかがでしょうか。素敵なお店を多数掲載しています。休憩はぜひ北山焙煎所の珈琲とカレーをお召し上がりください🍛 明日が最終日です！💨

布とゆかいな仲間たちウルフ舎

@wolfsya_shop

May 30

TAG文具まつり2日目‼️ はじまりました😃 #TAG文具まつり

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喫茶結社 / テラニシ・シュウヘイ (パーラー喫茶結社)@tera_s622

May 27

「KYOTO MAGAZINE」Issue6 ( @kyotomagazine )『EVENT REPOT』のページにて、弊結社の書籍『喫茶結社の“読む”ラジオアーカイブス』をご紹介いただきました。烽火書房の嶋田翔伍さん( @shimadasho5 )にお声がけいただき参加した交流会の様子とあわせてご紹介されています。

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KYOTO MAGAZINE @kyotomagazine

May 27

KYOTO MAGAZINE Issue6 2026.05.29.発売

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KYOTO MAGAZINE @kyotomagazine

May 26

大垣書店による大人のための京都のタウン誌「KYOTO MAGAZINE」 Issue6 2026.5.29.発売

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JCIM & JCTC Journals @JCIM_JCTC

Apr 26

Hydroxylase Thermostability Prediction Based on Self-Trained Semisupervised Iteration and Bayesian Dynamic Tuning #DeepLearning pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

Hydroxylase Thermostability Prediction Based on Self-Trained Semisupervised Iteration and Bayesian...

Current enzyme thermostability prediction models are predominantly designed for cross-family generalization, with limited focus on hydroxylases, which restricts their accuracy and applicability in...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 26

GlueFinder: A Data-Driven Framework for the Rational Discovery of Molecular Glues pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

GlueFinder: A Data-Driven Framework for the Rational Discovery of Molecular Glues

Molecular glues drive targeted protein degradation by stabilizing ternary complexes between proteins of interest and E3 ubiquitin ligases, but their rational design has lagged due to a limited...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 25

Protein Language Model Embeddings Distinguish Catalytic from Structural Zinc-Binding Sites with Interpretable Attention Signatures #LLMs #DeepLearning pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

Protein Language Model Embeddings Distinguish Catalytic from Structural Zinc-Binding Sites with...

Zinc ions serve dual roles in proteins: as catalytic cofactors and as structural elements. Distinguishing these functional classes from sequence alone remains challenging, because both share similar...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 25

Multi-View Collaboration Feature Fusion for Protein Function Prediction #DeepLearning pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

Multi-View Collaboration Feature Fusion for Protein Function Prediction

With the rapid growth of high-throughput sequencing data, many proteins remain uncharacterized, while experimental validation is costly and time-consuming. Automatic Function Prediction (AFP) is thus...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 25

NCRDLLM: Predicting ncRNA-Drug Response Associations via Multimodal Feature Fusion and Large Language Models #ncRNA #LLMs pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

NCRDLLM: Predicting ncRNA-Drug Response Associations via Multimodal Feature Fusion and Large...

Noncoding RNAs (ncRNAs) play critical regulatory roles in cancer drug response. However, most existing methods are limited to predicting a single type of ncRNA, failing to fully capture the complex...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 24

VFMol: A Discrete Flow Matching Variational Autoencoder for Molecular Graph Generation #DeepLearning pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

VFMol: A Discrete Flow Matching Variational Autoencoder for Molecular Graph Generation

Molecular graph generation is a key task in drug discovery, aiming to efficiently identify novel compounds with desired properties. While variational autoencoders (VAEs) excel at latent space...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 24

MML-DTI: Multimanifold Learning with Hyperbolic Graph Neural Networks for Enhanced Drug–Target Interaction Prediction #DeepLearning pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #Bioinformatics

MML-DTI: Multimanifold Learning with Hyperbolic Graph Neural Networks for Enhanced Drug–Target...

Accurately predicting drug–target interactions (DTIs) is crucial for drug discovery, repositioning. However, most deep learning-based DTI models are designed in Euclidean space, making it difficult...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 24

Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery #DrugDiscovery #Docking pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #PharmaceuticalModeling

Query Matters: How Selection Strategies Influence Active Learning in Drug Discovery

We present SimDMTA, an in silico framework designed to simulate the Design–Make–Test–Analyze (DMTA) cycle used in preclinical drug discovery. Using docking scores as a proxy for biological assays,...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 23

Combined All-Atom Simulations and Biophysical Assays Uncover Loop-Driven Stabilization in the HRAS i-motif #MolecularDynamics pubs.acs.org/doi/10.1021/acs… @Magistrato_Lab #JCIM Vol66 Issue6 #compchem

Combined All-Atom Simulations and Biophysical Assays Uncover Loop-Driven Stabilization in the HRAS...

I-motifs are noncanonical DNA secondary structures stabilized by hemiprotonated C :C base pairs. Their intrinsic flexibility, conformational heterogeneity, and sensitivity to environmental conditions...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 23

Comparative Molecular Dynamics Study of the Thermal Stability of CheY Proteins from Hyperthermophilic and Mesophilic Organisms #MolecularDynamics pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #compchem

Comparative Molecular Dynamics Study of the Thermal Stability of CheY Proteins from Hyperthermoph...

The primary function of the CheY protein is to regulate flagellar motility in motile bacteria such as Escherichia coli and Thermotoga maritima. Although the general determinants of thermal stability...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 23

Controlling Spatial Organization of HIV Coreceptor CCR5 pubs.acs.org/doi/10.1021/acs… #JCIM Vol66 Issue6 #compchem

Controlling Spatial Organization of HIV Coreceptor CCR5

CC chemokine receptor type 5 (CCR5) functions as a key coreceptor facilitating HIV entry into host cells. Recent experimental findings suggest that CCR5 preferentially localizes at lipid domain...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 22

Understanding the Role of H-Bonds in the Stability of Molecular Glue-Induced Ternary Complexes pubs.acs.org/doi/10.1021/acs… @jjuarez_jimenez #JCIM Vol66 Issue6 #compchem

Understanding the Role of H-Bonds in the Stability of Molecular Glue-Induced Ternary Complexes

Protein–protein interaction (PPI) networks play a central role in many biological processes, and thus, the possibility of modulating them using small molecules offers several therapeutic opportunit...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 22

Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations pubs.acs.org/doi/10.1021/acs… @ccappellichem @AlbeiroARC28 @SaraGomezMaya #JCIM Vol66 Issue6 #compchem

Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142...

The emergence of HIV-1 highly resistant strains and the prevalence of HIV-associated neurocognitive disorders (HAND), are two of the biggest challenges posed to combination antiretroviral therapy...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 22

Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization pubs.acs.org/doi/10.1021/acs… @zekepiskulich @kmerz1 @darrinyork_lbsr @MaduManathunga #JCIM Vol66 Issue6 #compchem

Automated Force Field Developer and Optimizer Platform: Torsion Reparameterization

General force fields such as General Amber Force Field (GAFF) have been designed for broad applicability and are widely used in protein–ligand binding simulations in structure-based drug discovery....

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JCIM & JCTC Journals @JCIM_JCTC

Apr 21

Cyclin-E/A/CDK1/2 Kinetic Landscapes Drive Cell Cycle Phase-Specific Progression and Guide Cyclin-E Degradation Strategy pubs.acs.org/doi/10.1021/acs… @WZ19911 #JCIM Vol66 Issue6 #compchem

Cyclin-E/A/CDK1/2 Kinetic Landscapes Drive Cell Cycle Phase-Specific Progression and Guide Cyclin-E...

The cell cycle relies on sequential activation of cyclin-dependent kinases (CDKs) by phase-specific cyclins. Previously, we proposed that their conformations and activation speed are tuned to the...

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JCIM & JCTC Journals @JCIM_JCTC

Apr 21

QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation pubs.acs.org/doi/10.1021/acs… @EtiennePalos @kmerz1 @PaesaniLab @awgoetz @UCSanDiego #JCIM Vol66 Issue6 #compchem

QUICK and Robust ESP and RESP Charges for Computational Biochemistry: Open-Source GPU Implementation

We describe the implementation details of highly efficient ab initio electrostatic potential (ESP) calculations on graphics processing units (GPUs) and introduce a novel scheme for partial charges...

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