yusuke1997/dblp-id-title huggingface dataset:
Xanthine oxidase inhibitory activity of isoflavonoids from Apios americana
POLAC, a problem oriented language for analytical chemistry
The fractal dimension as a measure for characterizing genetic variation of the human genome
Development of 3-dimensional molecular descriptors
Quantitative structure-property relationships for octanol-air partition coefficients of polychlorinated naphthalenes, chlorobenzenes and p, p?-DDT
Identification of -barrel membrane proteins based on amino acid composition properties and predicted secondary structure
Structural and immunogenicity analysis of reconstructed ancestral and consensus P48/45 for cross-species anti malaria transmission-blocking vaccine
Comparative analysis of plant lycopene cyclases
MOLTW: A program for conformational studies using potential functions - II. Algorithms for molecular coordinates and topology manipulation
Towards key genes identification for breast cancer survival risk with neural network models
New version of NAMOD (Nagoya Molecular Display) program
Molecular dynamics simulations of lectin domain of FimH and immunoinformatics for the design of potential vaccine candidates
Gene expression profiling to uncover prognostic and therapeutic targets in colon cancer, combined with docking and dynamics studies to discover potent anticancer inhibitor
Multitargeted molecular docking and dynamics simulation studies of 1,3,4-thiadiazoles synthesised from (R)-carvone against specific tumour protein markers: An In-silico study of two diastereoisomers
A simulation language and compiler to aid computer solution of chemical kinetic problems
GADS software for parametric linkage analysis of quantitative traits distributed as a point-mass mixture
SVM and SVR-based MHC-binding prediction using a mathematical presentation of peptide sequences
The sequential generation of random f-graphs. Line maximal 2-, 3- and 4-graphs
Mechanistic insights into the conformational changes and alterations in residual communications due to the mutations in the pncA Gene of Mycobacterium tuberculosis: A computational perspective for effective therapeutic solutions
Comparative and evolutionary studies of mammalian arylsulfatase and sterylsulfatase genes and proteins encoded on the X-chromosome
Molecular modelling and optimization of a high-affinity nanobody targeting the nipah virus fusion protein through in silico site-directed mutagenesis
Molly - A Language for Typesetting Molecular Structure Diagrams
Phylogenetic implications and secondary structure analyses of Vigna mungo (L.) Hepper genotypes based on nrDNA ITS2 sequences
Optimal classification for time-course gene expression data using functional data analysis
Fuzzy Logic Model of Langmuir Probe Discharge Data
Computational investigation of 2, 4-Di Tert Butyl Phenol as alpha amylase inhibitor isolated from Coccinia grandis (L.) Voigt using molecular docking, and ADMET parameters
Stability and dynamics of fractional order frogeye leaf spot infection model with fungal density function
A Convolution Algorithm for Linear-sweep Voltammetric Data At Unequally Spaced Times
Systematic Profiling and Evaluation of Structure-based Kinase-Inhibitor Interactome in Cervical Cancer by Integrating In Silico Analyses and In Vitro Assays at Molecular and Cellular Levels
Using statistical analysis to explore the influencing factors of data imbalance for machine learning identification methods of human transcriptome m6A modification sites
An efficient strategy for identifying cancer-related key genes based on graph entropy
3D QSAR Pharmacophore Based Virtual Screening for Identification of Potential Inhibitors for CDC25B
High-order Spatial Discretisations in Electrochemical Digital Simulation. Part 3. Combination with the Explicit Runge-Kutta Algorithm
The Study of Correlation Structures of DNA Sequences: A Critical Review
'Strain Effect' Descriptors for ATP and ADP Derivatives with Modified Phosphate Groups
Enzyme catalyzed reactions: From experiment to computational mechanism reconstruction
Identification of specific sequence motifs in the upstream region of 242 human miRNA genes
The DNA double helix fifty years on
Structure and expression of dna methyltransferase genes from apomictic and sexual Boechera species
An improved poly(A) motifs recognition method based on decision level fusion
BIGO: A web application to analyse gene enrichment analysis results
Prediction of novel pluripotent proteins involved in reprogramming of male Germline stem cells (GSCs) into multipotent adult Germline stem cells (maGSCs) by network analysis
Identifying novel prostate cancer associated pathways based on integrative microarray data analysis
Pharmacological and bioinformatics analysis reveals the reno-protective mechanisms of Zhenwu Decoction in chronic kidney disease
Program Seppeak 1.1: Separator of Overlapping Peaks
Schistosomiasis: Snail-vector control, molecular modelling and dynamic studies of bioactive N- acetylglycoside saponins from Tetrapleura tetraptera
Simple methods for computing the least squares line in three dimensions
Investigating the potassium interactions with the palytoxin induced channels in Na + /K + pump
Phytochemicals as potential AXL inhibitors for cancer therapy: A computational study
Simulation of conformational changes occurring when a protein interacts with its receptor
Computer Driven Apparatus for Adsorption Measurements
Classification of coding and non-coding regions in eukaryotic gene sequences using an adaptive anti-notch filter designed using hybrid Salp SwarmWhale algorithm incorporating a modified error function
Quantum mechanical approaches and molecular docking studies of metal based anticancer drugs cis-Diammine glycolato platinum and Diaminocyclohexane oxalatoplatinum structures
SENet: A deep learning framework for discriminating super- and typical enhancers by sequence information
A time and space complexity reduction for coevolutionary analysis of trees generated under both a Yule and Uniform model
Prediction of new chromene-based inhibitors of tubulin using structure-based virtual screening and molecular dynamics simulation methods
A Maximum Entropy Principle for the Distribution of Local Complexity in Naturally Occurring Nucleotide Sequences
Modification of the Huber Method for Solving Integral Equations on a Non-uniform Grid
Understanding the role of the topology in protein folding by computational inverse folding experiments
A self-consistent semi-empirical absorption correction technique
A Fast Algorithm to Evaluate the Shortest Distance Between Rods
ECAmyloid: An amyloid predictor based on ensemble learning and comprehensive sequence-derived features
Implementation of Similarity Model in the CSB System for Chemical Reaction Predictions
Statistical Properties of Open Reading Frames in Complete Genome Sequences
Mechanistic insights into antidiabetic potential of Ficus viren against multi organ specific diabetic targets: molecular docking, MDS, MM-GBSA analysis
Generative Pre-trained Transformer (GPT) based model with relative attention for de novo drug design
New algorithm and FORTRAN module to carry out the four-index transformation of atomic and molecular physics wholly in central memory
Application of a correlation coefficient pattern recognition technique to low resolution mass spectra
Clinicopathological value and underlying molecular mechanism of annexin A2 in 992 cases of thyroid carcinoma
Maximum Topological Distances Based Indices As Molecular Descriptors for QSPR: 2 - Application to Aromatic Hydrocarbons
TopMarker: Computational screening biomarkers of hepatocellular carcinoma from transcriptome and interactome based on differential network topological parameters
Integrative bioinformatics analysis of immune activation and gene networks in pediatric septic arthritis
Symmetry-eigenfunctions for many-electron atoms and molecules: A unified and friendly approach for frontier research and student training
Deciphering the role of the two metal-binding sites of DapE enzyme via metal substitution
Monte Carlo Simulation Towards Ripple Phase Modelling
Selected dreams and nightmares about computational biology
Recognizing protein-metal ion ligands binding residues by random forest algorithm with adding orthogonal properties
SpinA-AT and DNMR-SIM--two New PC-programs for Analysis and Simulation of NMR Spectra
The method predicting interaction between protein targets and small-molecular ligands with the wide applicability domain
A unified graph-based approach for protein function prediction using AlphaFold structures and sequence features
Directional persistence and the optimality of run-and-tumble chemotaxis
Increasing thermal stability and catalytic activity of glutamate decarboxylase in E. coli: An in silico study
Structure based pharmacophore study to identify possible natural selective PARP-1 trapper as anti-cancer agent
RepEx: A web server to extract sequence repeats from protein and DNA sequences
Carbon nanocone oxide-mediated controlled interaction to increase Favipiravir's bioavailability: An extensive in silico research
Detecting Localized Repeats in Genomic Sequences: A New Strategy and Its Application to Bacillus Subtilis and Arabidopsis Thaliana Sequences
Chemical Structure Systems: Computational Techniques for Representation, Searching, and Processing of Structural Information : Edited by Janet E. Ash, Wendy A. Warr, Peter Willett, Ellis Horwood, New York (1991). ISBN 0-13-126699-3, 351 Pp
In silico epitope identification of unique multidrug resistance proteins from Salmonella Typhi for vaccine development
Tyrosol 1, 2, 3-triazole analogues as new acetylcholinesterase (AChE) inhibitors
Comprehensive comparison of two protein family of P-ATPases (13A1 and 13A3) in insects
QSPR Studies of PCBs by the Combination of Genetic Algorithms and PLS Analysis
Fortified tofu red banana peel as a nutritional modulator: Computational and molecular insights into food-drug interactions and genetic targets in autism spectrum disorder
Modification of Malinowski's F-test for Pseudo Rank Estimation Revisited
Virtual screening of dipeptidyl peptidase-4 inhibitors using quantitative structure-activity relationship-based artificial intelligence and molecular docking of hit compounds
Taxonomy dimension reduction for colorectal cancer prediction
Predicting protein-RNA interaction amino acids using random forest based on submodularity subset selection
Upstream curved sequences in E. coli are related to the regulation of transcription initiation
An interactive computer program to draw Newman projections
Programmable calculator section : Numerical analysis of one-dimensional and cylindrical diffusion systems using a programmable calculator
Exploiting three kinds of interface propensities to identify protein binding sites
Molecular biology in the exabyte era: Taming the data deluge for biological revelation and clinical transformation
Discrepancy between mRNA and protein abundance: Insight from information retrieval process in computers
Constraint Guided Beta-Sheet Refinement for Protein Structure Prediction
Evaluation of the Teller-Redlich Product Rule for Non-linear X-Y-Z Molecules by a Programmable Calculator
Development of an interactive spectral analysis system. Application to NMR spectroscopy
Intelligent Systems in Molecular Biology (ISMB98), 27 June - 1 July, 1998, Montreal
A general fitting program for resolution of complex profiles
A virtual screening of Withaniasomnifera compounds using ADMET predictions, molecular docking, MD simulation and DFT calculations: Withasomniferol C an effective drug and potent inhibitor of anti-inflammatory targets
Collective transcriptomic deregulation of hypertrophic and dilated cardiomyopathy - Importance of fibrotic mechanism in heart failure
Computational prediction of the patchouli plant (Pogostemon cablin Benth.) as an antiaging agent through activation of telomerase enzyme in the PI3K-Akt pathway
Approximate Representation of the Molecular Electron Density: An Application to the Water Dimer and Solvated Positron
Global warming and coral reefs: Modelling the effect of temperature on Acropora palmata colony growth
Signal Averaging Computer System for Perkin-Elmer 577 Infrared Spectrophotometer
Applications of Statistical Criteria in Protein Sequence Analysis: Case Study of Yeast RNA Polymerase II Subunits
Comprehensive structural analysis of the open and closed conformations of Theileria annulata enolase by molecular modelling and docking
Interactive Graphical Optimization of Potential Energy Function Parameters in the Consistent Force Field
Forcefield evaluation and accelerated molecular dynamics simulation of Zn(II) binding to N-terminus of amyloid-β
A feature vector integration approach for a generalized support vector machine pairwise homology algorithm
Computer generation of isomers
Molecular dynamics simulation study on the structural stabilities of polyglutamine peptides
Relationship between chiroptical properties, structural changes and interactions in enzymes: A computational study on beta-lactamases from class A
Beyond structural bias: Improving circRNA-disease association prediction with Multi-Hop Neighborhood Hierarchical Fusion
Altered protein lipidation in cancer: A hidden link to sensory neuronal dysfunction
dbHDPLS: A database of human disease-related protein-ligand structures
Scaffold-based novel SHP2 allosteric inhibitors design using Receptor-Ligand pharmacophore model, virtual screening and molecular dynamics
Identifying transcription factor targets using enhanced Bayesian classifier
A new approach for determining SARS-CoV-2 epitopes using machine learning-based in silico methods
Lactate dehydrogenase B A Hypoxia and lactylation relative-gene as potential biomarkers for alcoholic liver disease: Integration of single-cell, bulk RNA-sequencing and experimental validation
Targeting conserved regions of the SARS-CoV-2 polymerase (RdRp) with kinase inhibitors as an effective new tactic for discovering dual-action "antiviral-antiinflammatory" drugs against COVID-19
Overall Stability Constants: Estimation By Non-linear Least Squares Methods
Computational detection of microRNAs targeting transcription factor genes in Arabidopsis thaliana
Res-GCN: Identification of protein phosphorylation sites using graph convolutional network and residual network
In silico analysis of cis-acting regulatory elements in 5' regulatory regions of sucrose transporter gene families in rice (Oryza sativa Japonica) and Arabidopsis thaliana
Ecodynamics and Dissolved Gas Chemistry Routines for Ocean Circulation Models
Drug-target prediction through self supervised learning with dual task ensemble approach
Toward the Unification of Sequence and Structural Data for Identification of Structural and Functional Constraints
Reinvestigation of a Genetic-based Classifier System: The Effectiveness of Recombination
Computer analysis to produce univocal reactions sets: Possible application to the analysis of complex mixtures
Unveiling cancer stem cell marker networks: A hypergraph approach
Genome-Wide Analysis for TLDc domain-containing genes in Oryza sativa
Targeting quorum sensing in Pseudomonas aeruginosa with high-affinity inhibitors: A high-throughput screening and in-silico analysis
SCOUT: A new algorithm for the inference of pseudo-time trajectory using single-cell data
Thermodynamic study of air gas system in the presence of silicon and fluorine
On construction of data preprocessing for real-life SoyLeaf dataset & disease identification using Deep Learning Models
, Jørgen Oxenbøll: Using e minicomputer to increase the available central processor time for a multiprogrammed computer system
Erratum to "LQTA-R: A new 3D-QSAR methodology applied to a set of DGAT1 inhibitors" [Computat. Biol. Chem. 74 (2018) 123-131]
Brain tumor segmentation and classification using MRI: Modified segnet model and hybrid deep learning architecture with improved texture features
Polynomial Expressions for the Hyper-Wiener Index of Extended Hydrocarbon Networks
Prediction and feature analysis of intron retention events in plant genome
Protein complex prediction by date hub removal
Molecular evolution of the plant ECERIFERUM1 and ECERIFERUM3 genes involved in aliphatic hydrocarbon production
Conformational difference between two subunits in flavin mononucleotide binding protein dimers from Desulfovibrio vulgaris (MF): molecular dynamics simulation
Network-based ranking methods for prediction of novel disease associated microRNAs
Genome-wide analysis and evolutionary study of sucrose non-fermenting 1-related protein kinase 2 (SnRK2) gene family members in Arabidopsis and Oryza
Voronoi Polyhedra and cleft recognition in aquated macromolecules
Malleable software for ab-initio quantum chemistry
Homology modeling and 3D-QSAR study of benzhydrylpiperazine δ opioid receptor agonists
Insights into the radiation and oxidative stress mechanisms in genus Deinococcus
Understanding the lid movements of LolA in Escherichia coli using molecular dynamics simulation and in silico point mutation
AE-RW: Predicting miRNA-disease associations by using autoencoder and random walk on miRNA-gene-disease heterogeneous network
Design, synthesis, evaluation of new 3-acetylisoxazolines and their hybrid analogous as anticancer agents: In vitro and in silico analysis
Computational determination of the orientation of a heat repeat-like domain of DNA-PKcs
Comprehensive analyses of bioinformatics applications in the fight against COVID-19 pandemic
Using a dual immunoinformatics and bioinformatics approach to design a novel and effective multi-epitope vaccine against human torovirus disease
Synthesis, thymidine phosphorylase inhibitory and computational study of novel 1, 3, 4-oxadiazole-2-thione derivatives as potential anticancer agents
Determining common insertion sites based on retroviral insertion distribution across tumors
Optimization Models for Determining Nitric Acid Equilibria in Supercritical Water
An in-depth study of clofarabine's binding mechanism to DNA: A thorough experimental and theoretical investigation
Functional contribution of coenzyme specificity-determining sites of 7α-hydroxysteroid dehydrogenase from Clostridium absonum
Indole-derived chalcones as anti-dermatophyte agents: In vitro evaluation and in silico study
Conformational and docking studies of acyl homoserine lactones as a robust method to investigate bioactive conformations
MKGE: Knowledge graph embedding with molecular structure information
Systemic Lupus Erythematosus prediction using Epistatic-Quantile Fusion Transformer network with integrated multi-omics and clinical data
Molecular and phylogenetic analysis of a novel family of fibrinogen-related proteins from mosquito Aedes albopictus cell line
Isolation and in silico prediction of potential drug-like compounds from Anethum sowa L. root extracts targeted towards cancer therapy
Surface Contraction and Expansion Waves Correlated with Differentiation in Axolotl Embryos - I. Prolegomenon and Differentiation During Invagination Through the Blastopore, As Shown by the Fate Map
Oligonucleotide Frequencies in DNA Follow a Yule Distribution
The impact of flanking sequence features on DNA CpG methylation
Comparative anti-oxidant and anti-inflammatory study of diverse honey types of Kashmir valley through In Vitro, analytical chemistry and computational approach
Electronic Structure and Nonlinear Optical Properties of Model Push-pull Polyenes with Modified Indanone Groups: A Theoretical Investigation
MMR: A Multi-view Merge Representation model for Chemical-Disease relation extraction
Evaluation of 1-vinyl-3-alkyl imidazolium-based ionic liquid monomers towards antibacterial activity: An in-silico & in-vitro study
Molecular phylogenetic study and expression analysis of ATP-binding cassette transporter gene family in Oryza sativa in response to salt stress
Promoter Analysis of Co-regulated Genes in the Yeast Genome
A Tool for the Interactive 3D Visualization of Electronic Structure in Molecules and Solids
Grand Metaphors of Biology in the Genome Era
Improved homology model of cyclohexanone monooxygenase from Acinetobacter calcoaceticus based on multiple templates
New acridine derivatives as promising agents against methicillin-resistant staphylococci - From tests to in silico analysis
Computer modeling of molecular structures
K1K2NN: A novel multi-label classification approach based on neighbors for predicting COVID-19 drug side effects
An inexpensive, high performance plotter interface for a laboratory-based minicomputer
Direct analysis of chemical relaxation signals by a method based on the combination of Laplace transform and Padé approximants
MMCL-CPI: A multi-modal compound-protein interaction prediction model incorporating contrastive learning pre-training
Performance assessment of different constraining potentials in computational structure prediction for disulfide-bridged proteins
Robust classifying of prokaryotic genomes
Multilocus consensus genetic maps (MCGM): Formulation, algorithms, and results
Viewing the molecular display: Hints from the artificial intelligence of vision
Designing a potent L1 protein-based HPV peptide vaccine: A bioinformatics approach
Practical Curve Fitting and Data Analysis (Software and Self-Instruction for Scientists and Engineers)
A mathematical model of insulin resistance in Parkinson's disease
Positive compositional algorithms in chemical reaction systems
Similar, or dissimilar, that is the question. How different are methods for comparison of compounds similarity?
A comparative QSAR analysis and molecular docking studies of phenyl piperidine derivatives as potent dual NK 1 R antagonists/serotonin transporter (SERT) inhibitors
Pru du 2S albumin or Pru du vicilin?
Structure, electronic, optical and thermodynamic behavior on the polymerization of PMMA: A DFT investigation
BERT-Promoter: An improved sequence-based predictor of DNA promoter using BERT pre-trained model and SHAP feature selection
Binding profile of a mixed-ligand silver(I) complex with DNA and Topoisomerase I
Integrative analysis of multi-omics data highlighted TP53 as a potential diagnostic and prognostic biomarker of survival in breast invasive carcinoma patients
Post Hartree-Fock and Density Functional Theory Studies on Structure and Conformational Stability of Nitrosoethylene and Substituted Compounds of Nitrosoethylene
GroupTracker: Video tracking system for multiple animals under severe occlusion
Advancing Alzheimer's therapeutics via in silico strategies: Tideglusib based multi-target analogues
A computer routine for the calculation of Cartesian coordinates of seven membered ring systems
Real-time laboratory computing using Digico M16 basic
All-atomic molecular dynamic studies of human CDK8: Insight into the A-loop, point mutations and binding with its partner CycC
Combinatorial Approaches to Gene Recognition
A cloud-based precision oncology framework for whole genome sequence analysis
A matrix series method for the integration of rate equations in a reaction network. An alternative to Runge-Kutta methods
Molecular dynamics of a model polymer on a hypercube parallel computer
Ligand-based computational modelling of platelet-derived growth factor beta receptor leading to new angiogenesis inhibitory leads
Multiwavelength Analysis for a First-order Consecutive Reaction
Predicting structural class for protein sequences of 40% identity based on features of primary and secondary structure using Random Forest algorithm
Substituent effect on the chemical and biological properties of diisatin dihydrazone Schiff bases: DFT and docking studies
DrugClust: A machine learning approach for drugs side effects prediction
Sequences, Codes and Functions
A Newly Proposed Molecular Topological Index for the Discrimination of Cis/trans Isomers and for the Studies of QSAR/QSPR
E-pharmacophore-based screening of mGluR5 negative allosteric modulators for central nervous system disorder
An Interactive FORTRAN Program for Three-dimensional Molecular Visualization
Prediction for understanding the effectiveness of antiviral peptides
Stability analysis of fractional-order impulsive Cohen-Grossberg neural networks with interdisciplinary applications in neurobiology and chemical kinetics
Identification of chebulinic acid as potent natural inhibitor of M. tuberculosis DNA gyrase and molecular insights into its binding mode of action