yusuke1997/dblp-id-title huggingface dataset:
An integrated in silico screening strategy for identifying promising disruptors of p53-MDM2 interaction
The conjugated-circuit model
Integrated regulatory network based on lncRNA-miRNA-mRNA-TF reveals key genes and sub-networks associated with dilated cardiomyopathy
Cross-Kingdom Gene regulation via miRNAs of Hypericum perforatum (St. John's wort) flower dietetically absorbed: An in silico approach to define potential biomarkers for prostate cancer
Physical quantity of residue electrostatic energy in flavin mononucleotide binding protein dimer
In silico structural and functional characterization and phylogenetic study of alkaline phosphatase in bacterium, Rhizobium leguminosarum (Frank 1879)
Study on the interaction of artificial and natural food colorants with human serum albumin: A computational point of view
Identification of circular codes in bacterial genomes and their use in a factorization method for retrieving the reading frames of genes
In silico identification of conserved microRNAs and their target transcripts from expressed sequence tags of three earthworm species
Parameterization of asymmetric sigmoid functions in weighted gene co-expression network analysis
Estimation of the basicity constants of weak bases by the target testing method fo factor anaylysis
Leveraging mutual information in Variational Autoencoders for improved dimensionality reduction of single-cell RNA sequencing data: The scInfoMaxVAE approach
Exploring the anti-diabetic potential of bis-Schiff base derivatives of benzimidazole: In-Vitro α-amylase, α-glucosidase inhibition, molecular docking, ADMET and DFT studies
Molecular insights into the mechanism of sugar-modified enkephalin binding to opioid receptors
Identification and validation of biomarkers in Alzheimer's disease based on machine learning algorithms and single-cell sequencing analysis
Proteome-scale identification of Leishmania infantum for novel vaccine candidates: A hierarchical subtractive approach
A prognosis-related based method for miRNA selection on liver hepatocellular carcinoma prediction
Efficient Gaussian sample specific network marker discovery and drug enrichment analysis validation
SNSynergy: Similarity network-based machine learning framework for synergy prediction towards new cell lines and new anticancer drug combinations
A statistical method to detect chromosomal regions with DNA copy number alterations using SNP-array-based CGH data
A model of tuberculosis transmission and intervention strategies in an urban residential area
AROHap: An effective algorithm for single individual haplotype reconstruction based on asexual reproduction optimization
Simulation studies to identify high-affinity probiotic peptides for inhibiting PAK1 gastric cancer protein: A comparative approach
Quantitative relationships between molecular structures, environmental temperatures and octanol-air partition coefficients of polychlorinated biphenyls
Systematic identification of the druggable interactions between human protein kinases and naturally occurring compounds in endometriosis
DTI-BGCGCN: A novel bipartite graph-based cluster graph convolutional network for drug-target interaction prediction in modern and traditional chinese medicine
Application of chemical transforms in EYNCHEMZ: a computer program for organic synthesis route discovery
Pharmacoinformatics-based identification of anti-bacterial catalase-peroxidase enzyme inhibitors
A Gibbs sampling method to determine biomarkers for asthma
In silico screening of ssDNA aptamer against Escherichia coli O157 : H7: A machine learning and the Pseudo K-tuple nucleotide composition based approach
LHRCDA: Predicting associations between circRNA and drug sensitivity via learnable hypergraph reconstruction
A Program for Interconverting Concentration Units in Binary Mixtures
Osmotic pressure induced by extracellular matrix drives Bacillus subtilis biofilms' self-healing
Optimizing tomato plant and insect disease control using a fractional model and deep neural networks
BagReg: Protein inference through machine learning
Experimental Study of Precipitating Systems; Computerised Analysis of the Optical Transmittance and Associated Noise
DCSGMDA: A dual-channel convolutional model based on stacked deep learning collaborative gradient decomposition for predicting miRNA-disease associations
Automatic analytical differentiation for nonlinear least-squares calculations
Identification of potential inhibitors against nuclear Dam1 complex subunit Ask1 of Candida albicans using virtual screening and MD simulations
Corrigendum to "The molecular selectivity of UNC3866 inhibitor for Polycomb CBX7 protein from molecular dynamics simulation" [Comput. Biol. Chem. 74 (2018) 339-346]
A statistical measure of association and a series expansion of chain conformations
Higher-order spatial discretisations in electrochemical digital simulations. Part 4. Discretisation on an arbitrarily spaced grid
Identification of potential Tpx inhibitors against pathogen-host interactions
Molecular descriptors and in silico studies of 4-((5-(decylthio)-4-methyl-4n-1,2,4-triazol-3-yl)methyl)morpholine as a potential drug for the treatment of fungal pathologies
Sampling Properties of the Alternating Projection Distance Geometry Algorithm Applied to Unconstrained Polypeptide Chains
Revolutionizing medical imaging: A cutting-edge AI framework with vision transformers and perceiver IO for multi-disease diagnosis
Interferon induced Mx protein from Indian snow trout Schizothorax richardsonii (Gray) lacks critical functional features unlike its mammalian homologues
Antiviral potential of natural compounds against influenza virus hemagglutinin
Graphics on ADM-3A CRT terminals
Prediction of human- Streptococcus pneumoniae protein-protein interactions using logistic regression
Identification of key genes and expression profiles in osteoarthritis by co-expressed network analysis
Multi-scale top-down approach for modelling epileptic protein-protein interaction network analysis to identify driver nodes and pathways
A deterministic algorithm for constrained enumeration of transmembrane protein folds
E-pharmacophore based virtual screening of potent lead molecules against Cystic Fibrosis: An in silico study
A Computer-based Approach to Describe the 13C NMR Chemical Shifts of Alkanes by the Generalized Spectral Moments of Iterated Line Graphs
Computational insights into human UCP1 activators through molecular docking, MM-GBSA, and molecular dynamics simulation studies
Utilizing a combined approach of machine learning and structure-based drug design principles to identify potential hits targeting SphK1
OCR: OmniNet-Fusion: A hybrid attention-based CNN-RNN model for multi-omics integration in precision cancer drug response prediction
A Versatile PC Interface for Upgrading Data Storage/transfer Rates of FT-NMR Spectrometers
Using an HP-1000 computer to calculate the conformational energy of molecules by body's algorithm
A three-phase method for identifying functionally related protein groups in weighted PPI networks
BLAZE TM : An Implementation of the Smith-Waterman Sequence Comparison Algorithm on a Massively Parallel Computer
Influence of cation-π interactions to the structural stability of phycocyanin proteins: A computational study
Modeling of the U1 snRNP assembly pathway in alternative splicing in human cells using Petri nets
Microcomputers and Laboratory Instrumentation, Second Edition : By David J. Malcolme-Lawes, Plenum Press, New York, 1988. ISBN 0-306-42903-9, xi + 272 pp
Calculation of the entropy caused by hindered internal rotation - a mechanistic tool to explore the steric influence on the entropy of activation
Configuring a dual processor based microcomputer as an integrator for chromatophy applications
AI fragment based optimization of saffron and chamomile phytochemicals as aryl hydrocarbon receptor inhibitors for dementia therapy an integrated computational approach
A non toxic natural food colorant and antioxidant 'Peonidin' as a pH indicator: A TDDFT analysis
Proteins and polypeptides computer graphics for space-filling model representations
scSFCL:Deep clustering of scRNA-seq data with subspace feature confidence learning
Conditional GWAS revealing genetic impacts of lifestyle behaviors on low-density lipoprotein (LDL)
Dynamical characteristics of bacteria clustering by self-generated attractants
Common Structural Folds in Several Protein Pairs Searched by an Iterative Superposition Algorithm
An improved chemical reaction optimization algorithm for solving the shortest common supersequence problem
A microcomputer assisted stopped-flow apparatus
Computational modeling of acrylodan-labeled cAMP dependent protein kinase catalytic subunit unfolding
Microcomputer-assisted surface area determination
Computational investigation of peptide binding stabilities of HLA-B*27 and HLA-B*44 alleles
AMPCDA: Prediction of circRNA-disease associations by utilizing attention mechanisms on metapaths
Protein β-sheet prediction using an efficient dynamic programming algorithm
Molecular docking and DFT study of antiproliferative ribofuranose nucleoside derivatives targeting EGFR and VEGFR2in cancer cells
Ligand Field Analysis of the 3dN Ions At Orthorhombic or Higher Symmetry Sites
Computational approach to target USP28 for regulating Myc
DiffuScope: A diffusion-regularized autoencoder for spatial transcriptomic clustering
The Structural Parameters of Microporous Solid, Including Fractal Dimension, on the Basis of the Potential Theory of Adsorption - the General Solution
NMR-controlled Titrations of Phosphorus Containing Acids and Bases
Interpretable single-cell transcription factor prediction based on deep learning with attention mechanism
Conformational studies by molecular mechanics and molecular orbital methods on the antiamoebic drug 1-(4-imidazolylsulfonyl)-4-phenylimidazole
Selectivity mechanism of GRK2/5 inhibition through in silico investigation
An account of two computer programs for the simulation of magnetic resonance spectra by the fast fourier transform method
An algorithm for entering mathematical functions as input to a fortran program
Improvement of an eye disease detection model by using the denoising diffusion implicit model
Bias correction for multiple covariate analysis using empirical bayesian estimation in mixed-effects models for longitudinal data
Discovering novel targets of abscisic acid using computational approaches
DSMT-Net: Dual-student mean teacher network with pixel-level pseudo-label optimization for semi-supervised medical image segmentation
Mutational analysis of phenolic acid decarboxylase from Enterobacter sp. Px6-4. towards enhancement of binding affinity: A computational approach
SSA: Subset sum approach to protein β-sheet structure prediction
Comparative analysis of simple sequence repeats and synteny across ten Oryza species: Implications for stress response and genetic diversity
PTTG1 as a common promising target for PCOS, Ovarian Cancer, and Major Depressive Disorder patients
3D QSAR studies, molecular docking and ADMET evaluation, using thiazolidine derivatives as template to obtain new inhibitors of PIM1 kinase
Designing, DFT, biological, & molecular docking analysis of new Iron(III) & copper(II) complexes incorporating 1-{[-(2-Hydroxyphenyl)methylene]amino}-5,5-diphenylimidazolidine-2,4-dione (PHNS)
Ugi efficient synthesis of novel N-alkylated lipopeptides, antimicrobial properties and computational studies in Staphylococcus aureus via MurD antibacterial target
SME-MFP: A novel spatiotemporal neural network with multiangle initialization embedding toward multifunctional peptides prediction
PASTA with many application-aware optimization criteria for alignment based phylogeny inference
Abstract Next Subvolume Method: A logical process-based approach for spatial stochastic simulation of chemical reactions
A validation strategy for in silico generated aptamers
A fast, low cost data acquisition system
FTOTAL, a Program to Process Total Luminescence Spectra
On-line processing of stopped-flow data for multiple kinetic reactions using a microprocessor-based system
Evaluation of one-center coulomb integrals involving s-functions by a programmable calculator
In silico identification and structure function analysis of a putative coclaurine N -methyltransferase from Aristolochia fimbriata
Computational analysis of TP53 vs. CTNNB1 mutations in hepatocellular carcinoma suggests distinct cancer subtypes with differential gene expression profiles and chromatin states
Batch effects correction in scRNA-seq based on biological-noise decoupling autoencoder and central-cross loss
A versatile end comprehensive analysis code for automated reduction of gamma-ray spectral data
KGLRR: A low-rank representation K-means with graph regularization constraint method for Single-cell type identification
In silico profiling, docking analysis, and protein interactions of secondary metabolites in Musa spp. Against the SGE1 protein of Fusarium oxysporum f. sp. cubense
Identification of virtual signal transducers and activators of transcription response elements in the human insulin receptor gene promoter
The Prediction of Relative Abundance of Isotopic Clusters in Mass Spectrometry of Coordination and Organometallic Compounds
The use of sparse matrix technique in the numerical integration of stiff systems of linear ordinary differential equations
Computational insights into B12N12 nanocage as a promising carrier for mesalazine delivery: a DFT study
Computational study of 3-thiophene acetic acid: Molecular docking, electronic and intermolecular interactions investigations
TSSUNet-MB - ab initio identification of σ 70 promoter transcription start sites in Escherichia coli using deep multitask learning
Schmidt orthonormalization of a basis expressible both as linear combinations and as projections of orthonormal primitive functions
Graph convolutional network based virus-human protein-protein interaction prediction for novel viruses
Application of computer simulation techniques to macromolecular theories
Uncovering the antidiabetic potential of heart-friendly and diuretic bioactive compounds through computer-based drug design
FoodABSANet: Developing an adaptive graph convolutional neural network for aspect-based sentiment analysis of food reviews with a weighted polarity score
DNA strand break: Structural and electrostatic properties studied by molecular dynamics simulation
Interconversion Between 3D Molecular Representations: Some Macromolecular Applications of Spherical Harmonic-Bessel Expansions about an Arbitrary Center
New Embedded Explicit Methods with Minimal Phase-lag for the Numerical Integration of the Schrödinger Equation
Molecular dynamics of Middle East Respiratory Syndrome Coronavirus (MERS CoV) fusion heptad repeat trimers
Calculation of Two-center Integrals Between Slater-type Orbitals
Predicting human intestinal absorption of diverse chemicals using ensemble learning based QSAR modeling approaches
Molecular dynamics studies of β-hairpin folding with the presence of the sodium ion
Multiconformational Investigations of Polypeptidic Structures, Using Clustering Methods and Principal Components Analysis
Calcul des paramètres d'activation et des incertitudes sur leurs valeurs à partir des résultats d'études cinetiques de reactions chimiques
Improving the power to detect differentially expressed genes in comparative microarray experiments by including information from self-self hybridizations
Gene cloning, homology comparison and analysis of the main functional structure domains of beta estrogen receptor in Jining Gray goat
An efficient algorithm for comparing two protein sequences: Implementation for microcomputers
Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone
Ligand-receptor interactions
Molecular Property Correlation in Alkanes with Geometric Volume
Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides
A Spectral matching system for MS/MS data
Discovery of new inhibitor for the protein arginine deiminase type 4 (PAD4) by rational design of α-enolase-derived peptides
Artificial Neural Networks Applied to Classification of Mutagenic Activity of Nitro-substituted Polycyclic Aromatic Hydrocarbons
Unveiling the molecular mechanisms of Haitang-Xiaoyin Mixture in psoriasis treatment based on bioinformatics, network pharmacology, machine learning, and molecular docking verification
A theoretical study on the electronic structures and equilibrium constants evaluation of Deferasirox iron complexes
Protein structure prediction from inaccurate and sparse NMR data using an enhanced genetic algorithm
Prognostic prediction of carcinoma by a differential-regulatory-network-embedded deep neural network
Protein structure optimization using improved simulated annealing algorithm on a three-dimensional AB off-lattice model
Stochasticity and robustness analysis of microRNA-mediated ERK signaling network
Predicting potential miRNA-disease associations by combining gradient boosting decision tree with logistic regression
Analysis of sequence repeats of proteins in the PDB
Enzyme kinetics: a modern approach: Edited by A.G. Marangoni, 2003, 229 pp. ISBN 0471159859
C3: An R package for cross-species compendium-based cell-type identification
New insights into the in vitro biological effects, in silico docking and chemical profile of clary sage - Salvia sclarea L
Win lals for a linked-atom least-square refinement program for helical polymers on windows PCs
Conversion of fat to cellular fuel - Fatty acids β-oxidation model
Pharmacophore based 3D-QSAR modeling, virtual screening and docking for identification of potential inhibitors of β-secretase
Structure-based profiling of putative therapeutics against monkeypox virus VP39 using pharmacophore modelling and molecular dynamics simulation studies
Comparison among dimensionality reduction techniques based on Random Projection for cancer classification
THD-Tricluster: A robust triclustering technique and its application in condition specific change analysis in HIV-1 progression data
Pinpointing potent hits for cancer immunotherapy targeting the TIGIT/PVR pathway using the XGBoost model, centroid-based virtual screening, and MD simulation
PanGeneWhale - A dockerized Kotlin-based GUI platform for reproducible and user-friendly pangenomic analysis
Applications of artificial intelligence for chemical inference-XX. "Intelligent" use of constraints in computer-assisted structure elucidation
Multistage isothermic sequencing by hybridization
Gene structure, evolution and expression analysis of the P-ATPase gene family in Chinese pear ( Pyrus bretschneideri )
Dual computational and biological assessment of some promising nucleoside analogs against the COVID-19-Omicron variant
Coloured Hybrid Petri Nets: An adaptable modelling approach for multi-scale biological networks
Cut-off Filter Method for Light-induced Photon Emission Spectra Estimation
Coupling Relations Between Molecular Electronic and Geometrical Degrees of Freedom in Density Functional Theory and Charge Sensitivity Analysis
Effective single-cell clustering through ensemble feature selection and similarity measurements
Bioinformatic analysis and experimental validation of mitochondria-related genes as novel biomarkers for moyamoya disease
System-level responses to cisplatin in pro-apoptotic stages of breast cancer MCF-7 cell line
Using Nearest Feature Line and Tunable Nearest Neighbor methods for prediction of protein subcellular locations
A DFT and molecular docking study of xerantholide and its interaction with Neisseria gonorrhoeae carbonic anhydrase
Non-globular Domains in Protein Sequences: Automated Segmentation Using Complexity Measures
FWAVina: A novel optimization algorithm for protein-ligand docking based on the fireworks algorithm
In-silico approach to investigate death domains associated with nano-particle-mediated cellular responses
Computer Aided Chemical Thermodynamics of Gases and Liquids : By Paul Benedek and Ferenc Olti, Wiley, Sussex, 1985, ISBN 0-471-87825-1
A Theoretical Study on Reaction Pathways to Carbanions
Methyl 2-(7-hydroxy-3-methyloctyl)-1,3-dimethyl-4-oxocyclohex-2-enecarboxylate as a natural and potent antitubercular lead: An in silico study integrating molecular docking, molecular dynamics, FMO, and DFT analyses
Epitopes based drug design for dengue virus envelope protein: A computational approach
New thiazolidine-2,4-diones as effective anti-proliferative and anti-VEGFR-2 agents: Design, synthesis, in vitro, docking, MD simulations, DFT, ADMET, and toxicity studies
Chemogenomic approach to identifying nematode chemoreceptor drug targets in the entomopathogenic nematode Heterorhabditis bacteriophora
Design, synthesis and evaluation of novel sulfonamides as potential anticancer agents
Intramolecular voids and intermolecular channels
Electronic publishing and chemical text processing - I. A survey of software for two-dimensional chemical structure editing
Coevolutionary dynamics of 53BP1 and its impact on TP53 interaction for DNA damage repair
Multi-component synergy of safflower (Carthamus tinctorius L.) against hypertension-dyslipidemia: Network pharmacology and molecular docking study
Structure based design, synthesis and biological evaluation of amino phosphonate derivatives as human glucokinase activators
Predicting deleterious non-synonymous single nucleotide polymorphisms in signal peptides based on hybrid sequence attributes
Modelling Molecular Structures, 2nd Ed, by Alan Hinchliffe, Wiley, 2000, ISBN 0-471-48993-X
An iterative method for Franck-Condon factor calculations with the use of the morse potential function to estimate equilibrium bond lengths of diatom
IPES - a program system for inorganic properties estimation and evaluation
Performance of IBM RISC 6000 Workstations in Electron Correlation Calculations
Genetic analysis of SARS-CoV-2 isolates collected from Bangladesh: Insights into the origin, mutational spectrum and possible pathomechanism
The placement of the outer sphere in muffin : Tin X calculations
Design, synthesis and computational evaluation of a novel intermediate salt of N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-(trifluoromethyl) benzamide as potential potassium channel blocker in epileptic paroxysmal seizures
PreAIS: Prediction of A-to-I editing sites based on DNN-CNN deep learning models
Pathogens constancy, harbinger of nosocomial infection cum identification of resistant genes and drug designing
Integrative multi-omics analysis of long non-coding RNA regulatory networks in chronic myeloid leukemia resistance and leukemic stem cell persistence
Mathematical modeling of the combined influence of psychological fear and imperfect vaccination on the spectrum of COVID-19
Structural insights into the activation mechanism of phosphoinositide 3-kinase alpha
ELSIM - A PC Program for Electrochemical Kinetic Simulations. Version 2.0 - solution of the Sets of Kinetic Partial Differential Equations in One-dimensional Geometry, Using Finite Difference, Orthogonal Collocation Methods
Heme peroxidase clothing and inhibition with polyphenolic substances revealed by molecular modeling
2-(Diarylalkyl)aminobenzothiazole derivatives induce autophagy and apoptotic death through SIRT inhibition and P53 activation In MCF7 breast cancer cells
An Algorithm for the Determination of the Vibrational Energy Distribution in "hot" Molecules. Description and Test
Recent advances in computational modeling of fibrin clot formation: A review
Knowledgebase of potential multifaceted solutions to antimicrobial resistance
Feature importance analysis in guide strand identification of microRNAs
Monte Carlo Simulations of I2- (CO2)16and I2- (N2O)16Clusters. Minimum Energy Structures and Solvation Energy
A soft collision detection algorithm for simple Brownian dynamics
Potential drug-like inhibitors of Group 1 influenza neuraminidase identified through computer-aided drug design
Exploring the potential mechanism of action of Wutou-Guizhi decoction in the treatment of rheumatoid arthritis through network pharmacology analysis
Storage and retrieval of nucleic acid sequence data