yusuke1997/dblp-id-title huggingface dataset:
Comparative in silico analysis identifies potent natural and synthetic peptide candidates for targeting SARS-CoV-2 viral proteins
Optimization of memory use of fragment extension-based protein-ligand docking with an original fast minimum cost flow algorithm
Clustering of time-course gene expression data using functional data analysis
General Linear Regression Analysis - Application to the Electric Dipole-moment Function of HCl
T-A-MFFNet: Multi-feature fusion network for EEG analysis and driving fatigue detection based on time domain network and attention network
Identifying potential Alzheimer's disease therapeutics through GSK-3β inhibition: A molecular docking and dynamics approach
Identification of Therapeutic Compounds Targeting Phosphatidylinositol 3-Kinase (PI3K) Through Molecular Docking, Dynamics Simulation, and DFT Calculations
Design and implementation of an economical instrument-computer interface based on the SDK-60 microcomputer
Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic Mobilities
Construction of the two-electron interaction matrix fron a P supermatrix file: An improved algorithm
A top-down approach for studying the in-silico effect of the novel phytocompound tribulusamide B on the inhibition of Nipah virus transmission through targeting fusion glycoprotein and matrix protein
A multilayer screening approach toward the discovery of novel Pf-DHFR inhibitors
Ribosome kinetics and aa-tRNA competition determine rate and fidelity of peptide synthesis
Computer-aided diagnosis of liver cancer with improved SegNet and deep stacking ensemble model
Synthesis cost-optimal targeted mutant protein libraries
Computer simulation of X-ray powder patterns with a microcomputer
Angular momentum eigenfunctions for many-electron calculations
Calculator least squares evaluation of k for the first order rate equation
FSDB: A frameshift signal database
Statistical methods to detect novel genetic variants using publicly available GWAS summary data
Isoenergy surfaces of the generalized eigenvalue equation modified by the generalized parameter dependent low rank perturbation
The relationship between fear of negative evaluation and social anxiety in parents of children with ASD: The chain mediating role of perceived social support and coping styles
Selecting effective siRNA target sequences by using Bayes' theorem
Antidiabetic potency and molecular insights of natural products bearing indole moiety: A systematic bioinformatics investigation targeting AKT1
Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector
A novel empirical mutual information approach to identify co-evolving amino acid positions of influenza A viruses
On the identification of differentially expressed genes: Improving the generalized F -statistics for Affymetrix microarray gene expression data
Bisbenzylisoquinolines from Cissampelos pareira L. as antimalarial agents: Molecular docking, pharmacokinetics analysis, and molecular dynamic simulation studies
Design, DFT studies, antimicrobial and antioxidant potential of Binuclear N-heterocyclic Carbene (NHCs) complexes, Probing the aspect of DNA interaction through In - vitro and In - silico approach
The LCNetWork: An electronic representation of the mRNA-lncRNA-miRNA regulatory network underlying mechanisms of non-small cell lung cancer in humans, and its explorative analysis
The Evolution and Recognition of Protein Sequence Repeats
Identification of a microRNA encoded by Anticarsia gemmatalis multiple nucleopolyhedrovirus
Longest common substring in Longest Common Subsequence 's solution service: A novel hyper-heuristic
Quantum-classical Molecular Dynamics and Its Computer Implementation
Hydrophobic collapse in ( in silico ) protein folding
A new vision of evaluating gene expression signatures
A small-scale data driven and graph neural network based toxicity prediction method of compounds
An analysis of the Petri net based model of the human body iron homeostasis process
In silico characterization and evolutionary analyses of CCAAT binding proteins in the lycophyte plant Selaginella moellendorffii genome: A growing comparative genomics resource
Molecular insight into the T798M gatekeeper mutation-caused acquired resistance to tyrosine kinase inhibitors in ErbB2-positive breast cancer
A Fast Algorithm for Computer Simulations in Inept Experiments
A Bayesian Statistical Algorithm for RNA Secondary Structure Prediction
Multi-computational screening identifies homovanillic acid as a potential SAP5 inhibitor against Candida albicans biofilms
Identifying the target mRNAs of microRNAs in colorectal cancer
Characteristic Substructures in Sets of Organic Compounds with Similar Infrared Spectra
Stochastic approaches for modelling in vivo reactions
In silico screening of cancer-associated mutations in the HSA domain of BRG1 and its role in affecting the Arp-HSA sub-complex of SWI/SNF
Passing Dynamic Objects by Reference in Fortran 90: Application to Time-dependent Quantum Chemistry
DECFAM - A new computer oriented algorithm for the determination of equilibrium constants from potentiometric and/or spectrophotometric measurements - II: Methods based on analytical expressions
In silico characterization of the psilocybin biosynthesis pathway
Synthesis, biological evaluation, and computational studies of novel fused six-membered O -containing heterocycles as potential acetylcholinesterase inhibitors
Study of the Water Behavior into a Ferrierite Zeolite by Molecular Dynamics Simulations
Use of essential and molecular dynamics to study B-crystallin unfolding after non-enzymic post-translational modifications
Green synthesis of selenium based N -heterocyclic carbene compounds; structural, in-vitro anticancer and molecular docking studies
Bipartite molecular approach for species delimitation and resolving cryptic speciation of Exobasidium vexans within the Exobasidium genus
Dehydrogenation Processes and Molecular Clusters in Mass Spectra of Organometallic and Coordination Compounds
A pH measuring system using lotus measure
New SDC function prediction based on protein-protein interaction using bioinformatics tools
A model for short alpha-neurotoxin bound to nicotinic acetylcholine receptor from Torpedo californica : Comparison with long-chain alpha-neurotoxins and alpha-conotoxins
Interaction of the new inhibitor paxlovid (PF-07321332) and ivermectin with the monomer of the main protease SARS-CoV-2: A volumetric study based on molecular dynamics, elastic networks, classical thermodynamics and SPT
Software interface Raman-spectrometer/minicomputer
In silico evaluation of pharmacokinetic properties and molecular docking for the identification of potential anticancer compounds
Inferring LncRNA-disease associations based on graph autoencoder matrix completion
Vector embeddings by sequence similarity and context for improved compression, similarity search, clustering, organization, and manipulation of cDNA libraries
Prediction of Programmed-temperature Retention Values of Naphthas by Wavelet Neural Networks
Experimental and molecular dynamics studies showed that CBP KIX mutation affects the stability of CBP: c-Myb complex
A comprehensive bioinformatic analysis of the role of TGF-β1-stimulated activating transcription factor 3 by non-coding RNAs during breast cancer progression
Disorder Atlas: Web-based software for the proteome-based interpretation of intrinsic disorder predictions
Protein Structure Determination by Non-parametric Regression and Knowledge-based Constraints
Rational in silico design of aptamers for organophosphates based on the example of paraoxon
CopyMix: Mixture model based single-cell clustering and copy number profiling using variational inference
Information-theoretic approaches to SVM feature selection for metagenome read classification
Revelation of Brevi-inflammin, a novel anti-inflammatory metabolite from Brevibacterium casei VRK 1, as a potent COX-2 inhibitor
A survey on chimeric UreB 229-561 -HpaA protein targeting Helicobacter pylori : Computational and in vitro urease activity valuation
Solution of ordinary differential equations with time dependent coefficients. Development of a semiexplicit Runge-Kutta algorithm and application to a spectroscopic problem
The calculation of equilibrium concentrations. ES4EC1: A FORTRAN program for computing distribution diagrams and titration curves
Reaction Centre Accessibility. II. Role of Reaction Centre Congestion in the Calculation of Reaction Centre Accessibility
Gammel: A Program for the Calculation of the Pressure Dependence of the Elastic Constants of Ionic Crystals
A Practical Introduction to the Simulation of Molecular Systems, Martin J. Field, Cambridge University Press, 1999; ISBN 0-521-58129-X. 325pp.
In-silico evidences for binding of Glucokinase activators to EGFR C797S to overcome EGFR resistance obstacle with mutant-selective allosteric inhibition
Interspersed 5′ cis- regulatory elements ascertain the spatio -temporal transcription of cytoskeletal profilin gene family in Arabidopsis
Gene function classification using NCI-60 cell line gene expression profiles
A General Fitting Program for Resolution of Complex Profiles - II. Automatic Baseline Correction
Prediction of Protein Structural Classes by Support Vector Machines
On K-peptide length in composition vector phylogeny of prokaryotes
The haplotype assembly model with genotype information and iterative local-exhaustive search algorithm
Identification of phytoestrogens as sirtuin inhibitor against breast cancer: Multitargeted approach
An ensemble of bioinformatics and machine learning approaches to identify shared breast cancer biomarkers among diverse populations
In silico based screening of WRKY genes for identifying functional genes regulated by WRKY under salt stress
A procedure for the analysis of gas adsorption measurements
Phytocompounds of Senecio candicans as potential acetylcholinesterase inhibitors targeting Alzheimer's disease: A structure-based virtual screening and molecular dynamics simulation study
Operon prediction based on SVM
Development of high-frequency true-linear generator for electrochemical purposes
Use of a semiexplicit Runge-Kutta integration algorithm in a spectroscopic problem
Reaction Centre Accessibility. I. Calculation of Reaction Centre Congestion and Influence of Structure Flexibility
Fluorim: a Computer Program for the Automated Data Collection and Treatment Using Commercial Spectrofluorimeters
Halting aberrant DNA methylation via in silico Identification of potent inhibitors of DNMT3B enzyme: Atomistic insights
Integrative genomic and transcriptomic profiling identifies HSPA5 as a central player in hepatocellular carcinoma pathogenesis
Synthesis, docking, ADMET prediction, cytotoxicity and antimicrobial activity of oxathiadiazole derivatives
A systematic review of single-cell RNA sequencing applications and innovations
Identification of inhibitors against the potential ligandable sites in the active cholera toxin
Chebyshev methods for the numerical evaluation of the reversible Randles-Sevcik function
Identifying the interacting positions of a protein using Boolean learning and support vector machines
Cellular and molecular level host-pathogen interactions in Francisella tularensis : A microbial gene network study
Genome-wide computational identification of microRNAs and their targets in the deep-branching eukaryote Giardia lamblia
Analysis of CRISPR-Cas systems in Gardnerella suggests its potential role in the mechanisms of bacterial vaginosis
Construction of regulatory networks mediated by small RNAs responsive to abiotic stresses in rice (Oryza sativa)
Unveiling novel type 1 inhibitors for targeting LIM kinase 2 (LIMK2) for cancer therapeutics: An integrative pharmacoinformatics approach
Numerical Recipes: By William H. Press, Brian P. Flannery, Saul A. Teukolsky and William T. Vetterling, Cambridge University Press, Cambridge, England, 1986
A mathematical analysis of SELEX
Visualizing the dual space of biological molecules
Use of a least-squares best molecular fit routine in a steric comparison of flexible molecules
Glycated human serum albumin: Computational studies of drug binding through molecular docking and binding affinity prediction
In silico analyses of a new group of fungal and plant RecQ4-homologous proteins
Predicting essential genes for identifying potential drug targets in Aspergillus fumigatus
Identification of small molecule inhibitors for differentially expressed miRNAs in gastric cancer
A network pharmacology analysis of curcumin in the treatment of oral submucous fibrosis
In silico design, synthesis and activity of potential drug-like chrysin scaffold-derived selective EGFR inhibitors as anticancer agents
Dynamic Optimization of Chemical Processes using Ant Colony Framework
In silico structure-based design of enhanced peptide inhibitors targeting RNA polymerase PA N -PB1 C interaction
A representation transfer learning approach for enhanced prediction of growth hormone binding proteins
Theoretical studies and NMR assay of coumarins and neoflavanones derivatives as potential inhibitors of acetylcholinesterase
Comments on papers concerning computer enumeration of permutation isomers
Experimental and density functional theory studies on benzalkonium ibuprofenate, a double active pharmaceutical ingredient
Algorithms on Strings, Trees and Sequences: Dan Gusfield
A Fast Graph Traversal Algorithm for the Computer Enumeration of P-V Paths of Benzenoid Graphs
Mathematical modeling of the role of bone turnover in pH regulation in bone interstitial fluid
BM3D filtering with Ensemble Hilbert-Huang Transform and spiking neural networks for cardiomegaly detection in chest radiographs
Multiview-cooperated graph neural network enables novel multi-omics cancer subtype classification
High Order Bessel Fitting Methods for the Numerical Integration of the Schrödinger Equation
Lung cancer prediction using multi-gene genetic programming by selecting automatic features from amino acid sequences
Codon usage bias and its influencing factors for Y-linked genes in human
Parallel Processing of Chemical Information in a Local Area Network - III. Using Genetic Algorithms for Conformational Analysis of Biomacromolecules
An algorithm to determine the electrical double-layer parameters for the simultaneous adsorption of two anions at the mercury electrode-solution interface
VWF, CXCL8 and IL6 might be potential druggable genes for acute coronary syndrome (ACS)
Inferring biomolecular interaction networks based on convex optimization
Multi-objective feature selection for warfarin dose prediction
Adaptive evolution of rotavirus VP7 and NSP4 genes in different species
The reactivity of neurotransmitters and their metabolites towards various nitrogen-centered radicals: Experimental, theoretical, and biotoxicity evaluation
Integrated transcriptomics and proteomics data analysis identifies CDH17 as a key cell surface target in colorectal cancer
Chemometrics: Theory and Application, edited by B. R. Kowalsk
Predicting antigenic peptides using a multi-level pooling-based transformer model with enhanced Kolaskar & Tongaonkar's algorithm for feature selection
Preference Functions for Prediction of Membrane-buried Helices in Integral Membrane Proteins
Structural insights of a cellobiose dehydrogenase enzyme from the basidiomycetes fungus Termitomyces clypeatus
In silico 3-D structure prediction and molecular docking studies of inosine monophosphate dehydrogenase from Plasmodium falciparum
A composite ranking of risk factors for COVID-19 time-to-event data from a Turkish cohort
Structural analysis of SNARE motifs from sea perch, Lateolabrax japonicus by computerized approaches
Asemeia ovata (Polygalaceae): Quantitative determination and evaluation in silico of identified substances by HPLC-DAD
Conserved patterns in bacterial genomes: A conundrum physically tailored by evolutionary tinkering
Exploring biological research hotspots through a novel bibliometric approach
Multilocus genetic and functional profiling of Indian-origin Lentinula edodes strains: Implications for cultivation and nutraceutical breeding
In silico characterization of the interaction between LSKL peptide, a LAP-TGF-beta derived peptide, and ADAMTS1
A model of influenza virus spread as a function of temperature and humidity
In vitro and in silico evaluation of Centaurea saligna (K.Koch) Wagenitz - An endemic folk medicinal plant
QSPR Prediction of Densities of Organic Liquids
Prediction of miRNA-disease associations based on strengthened hypergraph convolutional autoencoder
Comments on "EIGNl M: a matrix diagonalization su broutine with minimal storage requirements"
In silico modeling and structural analysis of asparaginyl endopeptidase of schistosoma mansoni (Sm32): Immunological and drug target implications
A comment on "Prediction of protein structural classes by a new measure of information discrepancy"
The use of prolog as a protein querying language
Structural prediction, whole exome sequencing and molecular dynamics simulation confirms p.G118D somatic mutation of PIK3CA as functionally important in breast cancer patients
Some early developments in programming synthetic strategies
CH-Bin: A convex hull based approach for binning metagenomic contigs
EFM2BF: Extraction and fusion of multi-network multi-scale bio-topological features for gene prediction in brain diseases
A comparative meta-genomic analysis of HPV strains: A step towards the design, synthesis and characterization of noval quenazoline derivative for antiviral activity
1,2,4-triazole incorporated into polyheterocyclic scaffolds as anti-glioblastoma agents: Biological evaluation and molecular modeling studies
Detection of RNA Polymerase II Promoters and Polyadenylation Sites in Human DNA Sequence
A computational strategy for metabolic network construction based on the overlapping ratio: Study of patients' metabolic responses to different dialysis patterns
The Accurate Computation of Partition Functions in Non-rigid Molecules
A new iterative procedure for computation of atomic Cartesian coordinates
Unravelling the untapped antifungal potential of polyphenolic compounds by targeting aspartate-beta-semialdehyde dehydrogenase: Insights from multifaceted drug design approaches
Named entity recognition of rice genes and phenotypes based on BiGRU neural networks
Robust multivariate analysis applied to separation of components in absorption spectra
Evidence of a cancer type-specific distribution for consecutive somatic mutation distances
Molecular dynamics-based descriptors of 3-O-Sulfated Heparan sulfate as contributors of protein binding specificity
Constructing a Useful Tool for Characterizing Amino Acid Conformers by Means of Quantum Chemical and Graph Theory Indices
Identification of evolutionarily conserved Momordica charantia microRNAs using computational approach and its utility in phylogeny analysis
Identification and validation of miR-21 key genes in cervical cancer through an integrated bioinformatics approach
An alignment-free measure based on physicochemical properties of amino acids for protein sequence comparison
Methods in Computational Chemistry, Vol. 2, Edited by Stephen Wilson, Plenum Press, New York, 1988. ISBN 0-306-42946-2, 291 pp. + index and contents
Medical Target Prediction From Genome Sequence: Combining Different Sequence Analysis Algorithms with Expert Knowledge and Input From Artificial Intelligence Approaches
Molecular gene expression signature patterns for gastric cancer diagnosis
On Finite Difference Methods for the Solution of the Schrödinger Equation
Exploring the effectiveness of the TSR-based protein 3-D structural comparison method for protein clustering, and structural motif identification and discovery of protein kinases, hydrolases, and SARS-CoV-2's protein via the application of amino acid grouping
A combined simulated annealing and quasi-Newton-like conjugate-gradient method for determining the structure of mixed argon-xenon clusters
Design considerations of a soft interface incorporating two techniques for transmitting digital data
A proteome-wide analysis of domain architectures of prokaryotic single-spanning transmembrane proteins
An integrative analysis to identify pancancer epigenetic biomarkers
Calculation of H2+ eigenparameters in arbitrary dimensions
Comparative investigation of lung adenocarcinoma and squamous cell carcinoma transcriptome to reveal potential candidate biomarkers: An explainable AI approach
Dual-GCN-based deep clustering with triplet contrast for ScRNA-seq data analysis
ConPred_elite: a highly reliable approach to transmembrane topology prediction
Construction of the crystal field hamiltonian for f-electrons according to the angular overlap model for an arbitrary distribution of ligands
Erratum to "A statistical method to detect chromosomal regions with DNA copy number alterations using SNP-array-based CGH data": [Comput. Biol. Chem. 29(2005) 47-54]
Mutational dynamics and phylogenetic insights into monkeypox virus clade I evolution
Numerical Analysis of Horvath-Kawazoe Equation
NBI: A Fortran Program for Molecular Mechanics Calculations on a Microcomputer
Calculation of the absolute infrared frequencies and intensities of a diatomic molecule or of local diatomic groups
Comparative molecular dynamics analyses on PIK3CA hotspot mutations with PI3Kα specific inhibitors and ATP
DeepBCE: Evaluation of deep learning models for identification of immunogenic B-cell epitopes
Optimized ensemble learning with multi-feature fusion for enhanced anti-inflammatory peptide prediction
PALB2 as a potential prognostic biomarker for colorectal cancer
Alphavirus protease inhibitors from natural sources: A homology modeling and molecular docking investigation
Reconstructing gene regulatory networks from knock-out data using Gaussian Noise Model and Pearson Correlation Coefficient
A comprehensive investigation regarding the clinical significance of ITGB4 in oral squamous cell carcinoma combining immunohistochemistry, RNA-seq, and microarray data
ABSORB: A computer program for correcting observed structure factors from absorption effects in crystal structure analysis
The effect of stereoisomerism on the 4D-QSAR study of some dipeptidyl boron derivatives
Evolutionary Dynamics and the Coding Structure of Sequences: Multiple Coding as a Consequence of Crossover and High Mutation Rates
Development of a sugar-binding residue prediction system from protein sequences using support vector machine
Assembling coordinates of individual helices into collagen-like aggregates
Molecular Connectivity Model for Determination of T 1 Relaxation Times of alpha-carbons of Amino Acids and Cyclic Dipeptides
Structural characterization of ANGPTL8 (betatrophin) with its interacting partner lipoprotein lipase
An algorithm for the construction of fully symmetry adapted Fock matrices for molecular Hattre+Fock calculations
Recurrent neural network based hybrid model for reconstructing gene regulatory network
The Language of Protein Folding: Many Forked Tongues
Computer networking for the European academic community: The EUREKA project cosine
A linear chemical notation
CDH1/E-cadherin and solid tumors. An updated gene-disease association analysis using bioinformatics tools
Why have serine/threonine/tyrosine kinases been evolutionarily selected in eukaryotic signaling cascades?
Procedures for computer simulation of kinetics of eletrochemical surface processes
An approach for COFFEE objective function to global DNA multiple sequence alignment
Antiviral phytocompounds target envelop protein to control Zika virus
A promising strategy to disrupt Plasmodium falciparum metabolic resilience by targeting G6PD: Virtual screening for potential inhibitors against malaria
Pico: A Data Acquisition Program for Picosecond Laser Spectroscopy
A computer program to determine the molecular point group and the symmetry adapted orbitals
Comparative analysis of periodicity search methods in DNA sequences
Comment on HQRII A fast diagonalization subroutine
Identification and structural characterization of deleterious non-synonymous single nucleotide polymorphisms in the human SKP2 gene
Characterizing mutation-expression network relationships in multiple cancers
LMI-DForest: A deep forest model towards the prediction of lncRNA-miRNA interactions