yusuke1997/dblp-id-title huggingface dataset:
In silico analysis of glutathione S-transferase supergene family revealed hitherto unreported insect specific δ- and ɛ-GSTs and mammalian specific μ-GSTs in Ixodes scapularis (Acari: Ixodidae)
Designing peptide inhibitor of insulin receptor to induce diabetes mellitus type 2 in animal model Mus musculus
Sphingosine kinase 1 (SK1) allosteric inhibitors that target the dimerization site
Exploring SALL4 as a significant prognostic marker in breast cancer and its association with progression pathways involved in cancer genesis
Design of (quinolin-4-ylthio)carboxylic acids as new Escherichia coli DNA gyrase B inhibitors: machine learning studies, molecular docking, synthesis and biological testing
Hybrid stochastic simulations of intracellular reaction-diffusion systems
Gender-specific dysregulations of nondifferentially expressed biomarkers of metastatic colon cancer
PeSA 2.0: A software tool for peptide specificity analysis implementing positive and negative motifs and motif-based peptide scoring
Bioinformatics: A Practical Guide to the Analysis of Genes and Proteins: Edited by A.D. Baxevanis, B.F.F. Ouellette, Second Ed., Wiley Interscience, New York, 2001. ISBN 0-471-38391-0, 470Pages
AI modeling of Ag-ZnO milk dynamics in a squarely elevated electromagnetic tunnel with dynamic thermal modulation
A Recurrent Neural Network model to predict blood-brain barrier permeability
Multiscale modeling of the cellular uptake of C6 peptide-siRNA complexes
Identification of glucosyl-3-phosphoglycerate phosphatase as a novel drug target against resistant strain of Mycobacterium tuberculosis (XDR1219) by using comparative metabolic pathway approach
Survival analysis of microarray expression data by transformation models
Potential protein biomarkers for systemic lupus erythematosus determined by bioinformatics analysis
Revisiting the relationship between compositional sequence complexity and periodicity
Halogenated class of oximes as a new class of monoamine oxidase-B inhibitors for the treatment of Parkinson's disease: Synthesis, biochemistry, and molecular dynamics study
Modeling codelivery of CD73 inhibitor and dendritic cell-based vaccines in cancer immunotherapy
DistAA: Database of amino acid distances in proteins and web application for statistical review of distances
On the use of overlapping lattices for screening to find pairs of nearby points in two and three dimensions
Unveiling potential repurposed drug candidates for Plasmodium falciparum through in silico evaluation: A synergy of structure-based approaches, structure prediction, and molecular dynamics simulations
Harnessing the druggability at orthosteric and allosteric sites of PD-1 for small molecule discovery by an integrated in silico pipeline
Calculation of Molecular Surface Area with Numerical Factors
A New Index for Molecular Property Correlation in Halomethanes
Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N, N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug
Computer analysis and manipulation of DNA sequences
SOM Integrated with CCA for the Feature Map and Classification of Complex Chemical Patterns
Coarse grained modelling highlights the binding differences in the two different allosteric sites of the Human Kinesin EG5 and its implications in inhibitor design
GDT-Net: Multi-level feature extraction network for precise diagnosis of atrial and ventricular fibrillation
Amino Acid Residue Environments and Predictions of Residue Type
Molecular characterization of pigeon torque teno virus (PTTV) in Jiangsu province
Rational design of methicillin resistance staphylococcus aureus inhibitors through 3D-QSAR, molecular docking and molecular dynamics simulations
Structure and energetics of serum protein complex of tea adulterant dye Bismarck brown Y using experimental and computational methods
Assessment of structurally and functionally high-risk nsSNPs impacts on human bone morphogenetic protein receptor type IA ( BMPR1A ) by computational approach
Multiple Protein Sequence Alignment using Double-dynamic Programming
Predicting protein subcellular localization based on information content of gene ontology terms
Towards automated and reliable lung cancer detection in histopathological images using DY-FSPAN: A feature-summarized pyramidal attention network for explainable AI
Small family, big impact: In silico analysis of DREB2 transcription factor family in rice
lncRNA-miRNA-mRNA interaction network for colorectal cancer; An in silico analysis
The role of the active site lysine residue on FAD reduction by NADPH in glutathione reductase
In silico identification of the protein disulfide isomerase family from a protozoan parasite
A simple way to calculate the axis of an -helix
Classification for high-throughput data with an optimal subset of principal components
FEAOF: A transferable framework applied to prediction of hERG-related cardiotoxicity
A testing scheme for subroutines solving large linear problems
Bioinformatics analysis of a non-specific nuclease from Yersinia enterocolitica subsp. palearctica
MRPL55 promotes BC progression as a prognostic biomarker by modulating lipogenesis and cyclin-dependent kinase pathways, from multi-omics to drug repurposing
Characterization of alpha helices interacting with nucleic acids
On the Robustness of Maximum Entropy Relationships for Complexity Distributions of Nucleotide Sequences
Machine learning and molecular simulation ascertain antimicrobial peptide against Klebsiella pneumoniae from public database
Digitally-controlled timing devices - a simple smoking machine
Phosphorylation mapping of laminin α1-chain: Kinases in association with active sites
Multi-omics profiling of ACOX3 unveils pan-cancer clinical biomarker potential
Insecticide-resistance mechanism of Plutella xylostella (L.) associated with amino acid substitutions in acetylcholinesterase-1: A molecular docking and molecular dynamics investigation
Zones of Low Entropy in Genomic Sequences
Improving the Analysis of Phylogenetic Data
Effect of internal viscosity on Brownian dynamics of DNA molecules in shear flow
Franck-Condon analyses on the IBM PC/AT
An ensemble method for prediction of conformational B-cell epitopes from antigen sequences
High Order Spatial Discretisations in Electrochemical Digital Simulation. 2. Combination with the Extrapolation Algorithm
A computational framework for the design and development of ERK2 and multi-target ERK2/HDAC inhibitors
Discovery of natural product inhibitors of phosphodiesterase 10A as novel therapeutic drug for schizophrenia using a multistep virtual screening
predForm-Site: Formylation site prediction by incorporating multiple features and resolving data imbalance
Bioinformatics analysis combined with experiments to unveil common hub genes, pathways, and transcription factor regulatory networks in ulcerative colitis and osteoporosis
The Numerical Solution of Some Kinetics Models with VODE and CHEMKIN II
Flexibility enables to discriminate between ligands: Lessons from structural ensembles of Bcl-xl and Mcl-1
A generalized graph-theoretical matrix of heterosystems and its application to the VMV procedure
The regulation of microRNA in each of cancer stage from two different ethnicities as potential biomarker for breast cancer
A Note on a Formula for the Hyper-Wiener Index of Some Trees
BactInt: A domain driven transfer learning approach for extracting inter-bacterial associations from biomedical text
A program system for spectroelectrochemical measurements
Structural properties and interaction energies affecting drug design. An approach combining molecular simulations, statistics, interaction energies and neural networks
Predicting microRNA biological functions based on genes discriminant analysis
The first maximum of the iodide concentration in the Bray-Liebhafsky reaction
Introducing feature identification and refinement engine (FIRE) for identifying consistent and informative gene signature
Overlapping genes in vertebrate genomes
Graphs with maximum connectivity index
STPDA: Leveraging spatial-temporal patterns for downstream analysis in spatial transcriptomic data
Comparative analysis of core promoter region: Information content from mono and dinucleotide substitution matrices
Computational method for discovery of biomarker signatures from large, complex data sets
Evaluation of degradation mechanism of chlorhexidine by means of Density Functional Theory calculations
Yates' method analysis of 2n factorial design of experiments using the TI-59, for n = 3, 4, 5, 6
In-silico exploration of Attukal Kizhangu L. compounds: Promising candidates for periodontitis treatment
On the Determination of Optical Constants of Liquids in the Infrared Region
Integrated single-cell and transcriptional analysis of neutrophil migrasome-associated gene mechanisms in ARDS
Computational discovery of resiniferatoxin and euphol as potential androgen receptor inhibitors for prostate cancer therapy
Multiscale modelling to understand the self-assembly mechanism of human β2-adrenergic receptor in lipid bilayer
Three dimensional structure prediction of panomycocin, a novel Exo-β-1, 3-glucanase isolated from Wickerhamomyces anomalus NCYC 434 and the computational site-directed mutagenesis studies to enhance its thermal stability for therapeutic applications
GRNMOPT: Inference of gene regulatory networks based on a multi-objective optimization approach
Integrating machine learning and statistical methods for prediction and feature-based network characterization of stress response protein
Artificial Intelligence in Bioinformatics
Modelling Molecular Stability in Gamma B Crystallin
Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues
Exploring the interaction of phytochemicals from Hibiscus rosa-sinensis flowers with glucosidase and acetylcholinesterase: An integrated in vitro and in silico approach
A computational prospect to aspirin side effects: Aspirin and COX-1 interaction analysis based on non-synonymous SNPs
Predicting Function From Structure: Examples of the Serine Protease Inhibitor Canonical Loop Conformation Found in Extracellular Proteins
Rational design and synthesis of some PPAR-γ agonists: Substituted benzylideneamino-benzylidene-thiazolidine-2, 4-diones
Resolution of absorption spectra
Multi-isotopic Modelling of Mass Spectra: A Procedure for Verification of the Fragmentation Hypothesis for the Organometallic and Coordination Compounds
Applications of the Adiabatic Connection Method to Conformational Equilibria and Reactions Involving Formic Acid
Use of regularization operators together with Lagrange multipliers in numerical deconvolution of fluorescence decay curves
iPiDA-sHN: Identification of Piwi-interacting RNA-disease associations by selecting high quality negative samples
Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics
Synthesis, biological evaluation and molecular dynamics studies of 1, 2, 4-triazole clubbed Mannich bases
The optimization of running time for a maximum common substructure-based algorithm and its application in drug design
Spectroscopic elucidation (FT-IR, FT-Raman and UV-visible) with NBO, NLO, ELF, LOL, drug likeness and molecular docking analysis on 1-(2-ethylsulfonylethyl)-2-methyl-5-nitro-imidazole: An antiprotozoal agent
Genome-wide Analysis of the MADS-Box Gene Family in Watermelon
Computational insights into insect-derived semiochemicals from Formicidae family as potential JAK1 inhibitors: Virtual screening and molecular dynamics studies
TBC-ac4C: Identification of N4-acetylcytidine sites by incorporating TCN and BiGRU based on multi-head cross-attention mechanism
BRVCEL - A computer program for cell reduction and Bravais lattice determination
In silico investigation of new binding pocket for mitogen activated kinase kinase (MEK): Development of new promising inhibitors
Three-dimensional description of molecular normal vibrations
Predicting protein-protein interactions using graph invariants and a neural network
Predicting DNA kinetics with a truncated continuous-time Markov chain method
Genome-based identification of diagnostic molecular markers for human lung carcinomas by PLS-DA
Application of Newton-Raphson optimization techniques in molecular mechanics calculations
Analogous Conformations of Both Binding and Effector Regions in Cyclosporin A, FK505and Rapamycin
Microcomputer-assisted temperature programmed desorption studies
DICCA-DTA: Diffusion and Contextualized Capsule Attention guided Factorized Cross-Pooling for Drug-Target Affinity prediction
Computational prediction and biochemical characterization of novel RNA aptamers to Rift Valley fever virus nucleocapsid protein
Prediction of viral protease inhibitors using proteochemometrics approach
N-glycosylation and ubiquitinylation of PD-L1 do not restrict interaction with BMS-202: A molecular modeling study
Computer-assisted identification of small-molecule Bcl-2 modulators
SRSF shape analysis for sequencing data reveal new differentiating patterns
Multi-mass modification of a gas analyzer for gas kinetic studies
A Topological Method for Determining the External Symmetry Number of Molecules
Development of a low-cost interface for coupling a microcomputer with a fluorescence spectrophotometer. Computer-assisted fluorimetry
Theoretical Study of the Internal Rotational Barriers in Nitrotoluenes, Nitrophenols, and Nitroanilines
Assessment of in vivo organ-uptake and in silico prediction of CYP mediated metabolism of DA-Phen, a new dopaminergic agent
Contab - A program for connection table generation from linear input
Computation of Solution Equilibria : By M. Melhoun, J. Havel and E. Högfeldt, Ellis Horwood, Chichester; Halsted Press, Wiley, New York, 1988. ISBN 0-7458-0201-X (Horwood), ISBN 0-470-20975-5 (Halsted), 292 pp. plus index and contents
Computational design and experimental substantiation of conformationally constrained peptides from the complex interfaces of transcriptional enhanced associate domains with their cofactors in gastric cancer
Identification of Novel TRPC5 Inhibitors by Pharmacophore-Based and Structure-Based Approaches
Text mining and network analysis to find functional associations of genes in high altitude diseases
Fractional whale driving training-based optimization enabled transfer learning for detecting autism spectrum disorder
Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks
Enzyme classification using multiclass support vector machine and feature subset selection
Fortran Program to determine diffusion constants
Molecular dynamics study of M-Trifluoromethyl diphenyl diselenide binding to the μ-opioid receptor: A computational perspective on morphine-induced tolerance
Ahnak and Nckap1l as potential diagnostic biomarkers and therapeutic targets in Landiolol-mediated sepsis treatment
Exploring the effect of aplidin on low molecular weight protein tyrosine phosphatase by molecular docking and molecular dynamic simulation study
Machine learning-driven discovery of antimicrobial peptides targeting the GAPDH-TPI protein-protein interaction in Schistosoma mansoni for novel antischistosomal therapeutics
Determination of the first order consecutive reaction rate constants from final product
Mechanism of drug resistance of BVDV induced by F224S mutation in RdRp: A case study of VP32947
Study of the structure and binding site features of FaEXPA2, an α-expansin protein involved in strawberry fruit softening
Design, molecular docking analysis of an anti-inflammatory drug, computational analysis and intermolecular interactions energy studies of 1-benzothiophene-2-carboxylic acid
MoDEL: an efficient strategy for ungapped local multiple alignment
Neural Modeling of Torsional Potential Hypersurfaces in Non-rigid Molecules
ProteinLasso: A Lasso regression approach to protein inference problem in shotgun proteomics
Structural bioinformatics-based identification of putative plant based lead compounds for Alzheimer Disease Therapy
An improved SCF iteration scheme
ChromosomeNet: A massive dataset enabling benchmarking and building basedlines of clinical chromosome classification
A generalization for mixtures of a fast algorithm to calculate some intermolecular orientational averages
Integrated computational approaches for designing potent pyrimidine-based CDK9 inhibitors: 3D-QSAR, docking, and molecular dynamics simulations
Expert Systems 85: Edited by Martin Merry, Cambridge University Press, Cambridge, England, 1986. ISBN 0-521-32596-X, 334 pp., no index
Specificity rule discovery in HIV-1 protease cleavage site analysis
Structure Refinement of Quaternary Spinel Oxides - Experiments and Modelling
Identification of oil palm cis -regulatory elements based on DNA free energy and single nucleotide polymorphism density
Machine learning assisted methods for the identification of low toxicity inhibitors of Enoyl-Acyl Carrier Protein Reductase (InhA)
A Theory of Information with Special Application to Search Problems
Check Den: a computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density
A deep-SIQRV epidemic model for COVID-19 to access the impact of prevention and control measures
A novel radial basis neural network for the Zika virus spreading model
Differentiating the pre-hydrolysis states of wild-type and A59G mutant HRas: An insight through MD simulations
B7 family of proteins in the norm and pathology: An intrinsic disorder angle
ScGSLC: An unsupervised graph similarity learning framework for single-cell RNA-seq data clustering
A query-response causal analysis of reaction events in biochemical reaction networks
Identification and functional prediction of stress responsive AP2/ERF transcription factors in Brassica napus by genome-wide analysis
Computer search of a free-text data base as a tool for investigating structure-effect relationships
Program for the Calculation, Construction of Isothermal Phase Stability Diagrams
Superposition of Three-dimensional Objects: A Fast and Numerically Stable Algorithm for the Calculation of the Matrix of Optimal Rotation
Parallelization and Vectorization of Quantum Mechanical Methods - I. Integral Program for Polymers and Molecules
SSE-Net: A novel network based on sequence spatial equation for Camellia sinensis lysine acetylation identification
PerturbSynX: Deep learning framework for predicting drug combination synergy scores using drug induced gene perturbation data
Numerical inversion of z-transforms with application to polymerization kinetics
H-bond refinement for electron transfer membrane-bound protein-protein complexes: Cytochrome c oxidase and cytochrome c552
Designing potential siRNA molecule for the nucleocapsid( N ) gene silencing of different SARS-CoV-2 strains of Bangladesh: Computational approach
Optimization and correction of breast dynamic optical imaging projection data based on deep learning
Editorial: The 21st Asian Pacific Bioinformatics Conference 2023
Protein complex prediction in interaction network based on network motif
Adenine bolsters the monomeric conformations of the intrinsically disordered A53T mutant of α-Synuclein protein
Molecular mechanics and the CAMSECI processor
Application of Modern Computer Methods for Recognition of Chemical Compounds in NIRS
Exploration of interaction zones of β-tubulin colchicine binding domain of helminths and binding mechanism of anthelmintics
Normal mode analysis of Zika virus
Molecular docking study of natural alkaloids as multi-targeted hedgehog pathway inhibitors in cancer stem cell therapy
Mutations and functional analysis of 14-3-3 stress response protein from Triticum aestivum : An evolutionary analysis through in silico structural biochemistry approach
Modeling, stability and the activity assessment of glutathione reductase from Streptococcus Thermophilus ; Insights from the in-silico simulation study
DLS-SUC: A precision prediction framework for lysine succinylation sites integrating the protein language model (ESM-2) and dual imbalance strategies
Identification of critical genes in microarray experiments by a Neuro-Fuzzy approach
A novel in silico minigene vaccine based on CD4 + T-helper and B-cell epitopes of EG95 isolates for vaccination against cystic echinococcosis
New Method of Isotope Pattern Analysis
Performance assessment of genomic island prediction tools with an improved version of Design-Island
A Program for Calculation and Graphic Representation of Conditional Constants - II. Solubility Products
3D-QSAR studies on indole and 7-azoindole derivatives as ROCK-2 inhibitors: An integrative computational approach
Prediction of protein subcellular location using hydrophobic patterns of amino acid sequence
Computational study of molecular electrostatic potential, docking and dynamics simulations of gallic acid derivatives as ABL inhibitors
Computational analysis of atpB gene promoter from different Pakistani apple varieties
Environmental adaptation of proteins: Regression models with simple physicochemical properties
In silico prediction of peptide variants from chia ( S. hispanica L.) with antimicrobial, antibiofilm, and antioxidant potential
ABLE: Attention based learning for enzyme classification
Classification and identification of mosquito species using artificial neural networks
Chaos enhanced grey wolf optimization wrapped ELM for diagnosis of paraquat-poisoned patients
Markovian encoding models in human splice site recognition using SVM
The RIT1 C-terminus associates with lipid bilayers via charge complementarity
A Bioinformatics approach to designing a Zika virus vaccine
In silico pharmacophore modeling and simulation studies for searching potent antileishmanials targeted against Leishmania donovani nicotinamidase
A Comparative Study of the DG-OMEGA (DG), DGII, and GAT Method for the Structure Elucidation of a Methylene-acetal Linked Thymine Dinucleotide
Application of Optimization Methods to Solid Phase Analysis of Combustion Gases Desulphurization Products
Theoretical investigation of hydroxylated analogues of valinomycin as potassium transporter
A computational essential dynamics approach to investigate structural influences of ligand binding on Papain like protease from SARS-CoV-2
Molecular docking and molecular simulation studies for N-degron selectivity of chloroplastic ClpS from Chlamydomonas reinhardtii
Protein-coding Region Discovery in Organisms Under-represented in Databases
An algorithm for evaluation of the exact partition function of free internal rotation, and other quantal systems having quadratically dependent energy levels
On the evolution rate in mammalian mitochondrial genomes
An inexpensive chromatographic data system for the apple II
A quantitative structure property relationship study of electrophoretic mobility of analytes in capillary zone electrophoresis
Interaction of fumigaclavine C with High Mobility Group Box 1 protein (HMGB1) and its DNA complex: A computational approach
Identification of transcription factor-miRNA-lncRNA feed-forward loops in breast cancer subtypes
Rational design of antimicrobial peptides targeting Gram-negative bacteria
Pattern Formation in a Turing's Type Model with Minimal Reactional Complexity
Effect of acetone accumulation on structure and dynamics of lipid membranes studied by molecular dynamics simulations
Esculetin attenuates doxorubicin-induced cardiac toxicity: Evidence from gene expression, enzyme activity, and molecular docking analyses
Detecting and aligning peaks in mass spectrometry data with applications to MALDI
In silico study of porphyrin-anthraquinone hybrids as CDK2 inhibitor
Subclassification of lung adenocarcinoma through comprehensive multi-omics data to benefit survival outcomes
Transcriptome profilling analysis characterized the gene expression patterns responded to combined drought and heat stresses in soybean
A protein fold classifier formed by fusing different modes of pseudo amino acid composition via PSSM
A molecular model for transcription in the RNA world based on the ribosome large subunit
Model-guided metabolic gene knockout of gnd for enhanced succinate production in Escherichia coli from glucose and glycerol substrates