yusuke1997/dblp-id-title huggingface dataset:
Designing anti-Zika virus peptides derived from predicted human-Zika virus protein-protein interactions
Synthesis, monoamine oxidase inhibitory activity and computational study of novel isoxazole derivatives as potential antiparkinson agents
Utility subroutines
Geometrical Analysis of the Voids in Structural Models of Molten Salts
Metabolomics and network pharmacology approach to identify potential bioactive compounds from Trichoderma sp. against oral squamous cell carcinoma
Chemical Fragmentation in Quantum Mechanical Methods
Guiding exploration in conformational feature space with Lipschitz underestimation for ab-initio protein structure prediction
Down regulation of lactotransferrin enhanced radio-sensitivity of nasopharyngeal carcinoma
A survey on genomic data by privacy-preserving techniques perspective
Polynomial (linear in Parameters) Least Squares Analysis When All Experimental Data Are Subject to Random Errors
Estimation of the Chemical Rank for the Three-way Data: A Principal Norm Vector Orthogonal Projection Approach
im7G-DCT: A two-branch strategy model based on improved DenseNet and transformer for m7G site prediction
On the modelling and analysis of the regulatory network of dengue virus pathogenesis and clearance
GTAMP-DTA: Graph transformer combined with attention mechanism for drug-target binding affinity prediction
Analysis of enzymopathies in the human red blood cells by constraint-based stoichiometric modeling approaches
Determination of Atomic Sphere RADII for SCF-XSW Calculations
The use of linear programming in curve fitting
An efficient interpretable stacking ensemble model for lung cancer prognosis
Chemical principles additive model aligns low consensus DNA targets of p53 tumor suppressor protein
Computational characterization and design of SARS coronavirus receptor recognition and antibody neutralization
A Flexible Motif Search Technique Based on Generalized Profiles
Comparative in Silico study of apigenin and its dimeric forms on PIM1 kinase in glioblastoma multiform
Targeting colorectal cancer liver metastasis through repurposing metabolic and immune inhibitors: A theoretical study
Identifying essential proteins using modified-monkey algorithm (MMA)
The Protein Folding Problem: Finding a Few Minimums in a Near Infinite Space
Practical Evaluation of Comparative Modelling and Threading Methods
DKCN-Net: Deep kronecker convolutional neural network-based lung disease detection with federated learning
ANN Modeling of DNA Sequences: New Strategies using DNA Shape Code
The floral transcriptome of Machilus yunnanensis , a tree in the magnoliid family Lauraceae
Application of nonlinear least squares analysis on three different consecutive, irreversible first order kinetic processes
Principles for the organization of gene-sets
GR24, a synthetic analog of Strigolactones, alleviates inflammation and promotes Nrf2 cytoprotective response: In vitro and in silico evidences
Comparative genome-wide phylogenetic and expression analysis of SBP genes from potato (Solanum tuberosum)
Density Functional MO Calculation for Stacked DNA Base-pairs with Backbones
A calculator program for the optimization of physico-chemical parameters by unidimensional search
Computational Analysis of Biochemical Systems, Eberhard O. Voit, Cambridge University Press, 2000. ISBN 0-521-78579-0 (Paperback); ISBN 0-521-78087-X (Hardback)
Scaffold assembly based on genome rearrangement analysis
SnpFilt: A pipeline for reference-free assembly-based identification of SNPs in bacterial genomes
SwissADME studies and Density Functional Theory (DFT) approaches of methyl substituted curcumin derivatives
Image Analysis and Processing : Edited by V. Cantoni V.Di Gesú and S. Levialdi, Plenum Press, New York, 1988. ISBN 429012, 518 pages plus page Index
Optimal Determination of Rate Coefficients in Multiple-reaction Systems
Sequence-based analysis of 5′UTR and coding regions of CASP3 in terms of miRSNPs and SNPs in targetting miRNAs
Enhancing lncRNA-disease associations predictions by optimizing similarity on multiple heterogeneous networks
The influence of gapped positions in multiple sequence alignments on secondary structure prediction methods
Multiscale and global-local U-Net for protein-protein interaction site prediction
Theoretical Calculations of Heavy-atom Isotope Effects
A microcomputer-based data acquisition and analysis system. Application to EPR
Multi objective SNP selection using pareto optimality
Molecular simulation investigation on the interaction between barrier-to-autointegration factor dimer or its Gly25Glu mutant and LEM domain of emerin
Organometallic chemometrics: I. A minicomputer implementation of abstract factor analysis
Electrostatic energy analysis of 8-oxoguanine DNA lesion--molecular dynamics study
Computational Gene Identification: An Open Problem
The Eighth Dubrovnik MATH/CHEM/COMP International Course and Conference and the First Croatian Meeting on Fullerenes
Graph-ETMB: A graph neural network-based model for tumour mutation burden estimation
GPEC: A Cytoscape plug-in for random walk-based gene prioritization and biomedical evidence collection
Natural selection shaped the evolution of amino acid usage in mammalian toll like receptor genes
SVM-BALSA: Remote homology detection based on Bayesian sequence alignment
A computerized electrochemical data acquisition and control system
Investigating the anti-lung cancer properties of Zhuang medicine Cycas revoluta Thunb. leaves targeting ion channels and transporters through a comprehensive strategy
Urinary biomarkers analysis as a diagnostic tool for early detection of pancreatic adenocarcinoma: Molecular quantification approach
A direct method for obtaining cartesian coordinates of atoms in molecules
Integrated in silico and GC-MS analysis of Momordica charantia Linn. phytocomponents against DiNP phthalate and B[a]P toxicity: A focus on amyloid beta protein and acetylcholinesterase in neurodegenerative disease
A New Approach to the Analysis of the UV Absorption Spectra of Ketones in Aqueous Sulfuric Acid
Genomic studies on nitrogen metabolism in Halomonas boliviensis: Metabolic pathway, biochemistry and evolution
Pharmacoinformatics study of Piperolactam A from Piper betle root as new lead for non steroidal anti fertility drug development
Where is the mind within the brain? Transient selection of subnetworks by metabotropic receptors and G protein-gated ion channels
Inference of gene regulatory networks with multi-objective cellular genetic algorithm
Modeling Surface Complexation At the Colloid/electrolyte Interface
Computer Simulation Studies of Recombination of Ions in Multi Ion-pair Ensembles--I. Diffusion-controlled Processes
Virtual screening using docking and molecular dynamics of cannabinoid analogs against CB 1 and CB 2 receptors
Calculator least squares evaluation of k for the second order rate equation
Relationship between degree-rank function and degree distribution of protein-protein interaction networks
Evaluation of Different Factor Analytical Methods for Estimation of PKBH+, Solvation Parameter Values of 2-hydroxybenzoic Acid
Determination of NMR Shift Reagent Position By the Pseudocontact Model
Methods in Computational Chemistry, Vol. 3, Concurrent Computations in Chemical Calculations: Edited By Stephen Wilsos. Plenum Press, New York; 1989. ISBN 0-306-43315-X, 237Pp
Step by Step Filter Based Program for Calculations of Highly Informative Derivative Curves
Pharmacoinformatics-based prediction of Checkpoint kinase-1 inhibitors from Momordica charantia Linn. for cancer
Multilayer precision-based screening of potential inhibitors targeting Mycobacterium tuberculosis acetate kinase using in silico approaches
Abundance of intrinsic structural disorder in the histone H1 subtypes
Novel oxazole based oxadiazole conjugates: Synthesis, DFT study and in silico confirmation as potent anti-diabetic agents
ACP-ESM2: The prediction of anticancer peptides based on pre-trained classifier
A novel feature selection method to predict protein structural class
Subgrouping Automata: Automatic sequence subgrouping using phylogenetic tree-based optimum subgrouping algorithm
Disruption of redox catalytic functions of peroxiredoxin-thioredoxin complex in Mycobacterium tuberculosis H37Rv using small interface binding molecules
Data Translation from Instrument Specific to ASCII
Comparison of non-sequential sets of protein residues
A matrix method for partitioning the atoms of a molecule into equivalence classes
A Computer Tool Kit for Chemists - III. Error Detection and Corrective Action Procedure
Simplification and Acceleration of Crystal Energy Calculations under Constant Pressure
Computer Algebra Programmes for the Construction of a Family of Numerov-type Exponentially-fitted Methods for the Numerical Solution of the Schrödinger Equation
QSAR classification-based virtual screening followed by molecular docking studies for identification of potential inhibitors of 5-lipoxygenase
Dissipative High Phase-lag Order Numerov-type Methods for the Numerical Solution of the Schrödinger Equation
LQTA-R: A new 3D-QSAR methodology applied to a set of DGAT1 inhibitors
Consistency checks for characterizing protein forms
Integrative bioinformatics analysis reveals that microplastics promote chronic rhinosinusitis with nasal polyps through NOXO1-mediated oxidative stress and myoepithelial cell reprogramming
Imidazolium ionic liquids as effective antiseptics and disinfectants against drug resistant S. aureus : In silico and in vitro studies
A novel Convolutional Shuffle Attention Xtreme Gradient Boost Network for improved lung cancer detection using computed tomography images
BS-RNA: An efficient mapping and annotation tool for RNA bisulfite sequencing data
3D-QSAR modeling with selection of local reactive descriptors (LRD) and molecular docking studies on diarylpyrazole-benzenesulfonamide derivatives
Virtual screening of approved drugs as potential SARS-CoV-2 main protease inhibitors
Phytoflavonoids as alternative therapeutic effect for melanoma: Integrative Network pharmacology, molecular dynamics and drug-likeness profiling for lead discovery
Computers in nmr-I: signal averaging in Fourier transform nmr
Identification of potential therapeutic targets for stroke using data mining, network analysis, enrichment, and docking analysis
The potential mechanisms by which Xiaoyao Powder may exert therapeutic effects on thyroid cancer were examined at various levels
Examining the co-expression, transcriptome clustering and variation using fuzzy cluster network of testicular stem cells and pluripotent stem cells compared with other cell types
Molecular insights into steroid resistance in childhood nephrotic syndrome: Gene expression and prognostic miRNA signatures
A Pattern Classification Procedure Integrating the Multivariate Statistical Analysis with Neural Networks
Protein model refinement using structural fragment tessellation
Computer Modeling 3-D Nucleation and Growth
Extensive increase of microarray signals in cancers calls for novel normalization assumptions
Optimal transport technique to understand peptide conformations
Multi-label tongue image classification via label semantics-driven feature interaction enhancement
Characterizing regions in the human genome unmappable by next-generation-sequencing at the read length of 1000 bases
Targeting AR-positive breast cancer cells via drug repurposing approach
Investigations on bioactive compounds of Punica granatum and Beta vulgaris for breast cancer treatment: Network pharmacology predictions, molecular docking, and in-vitro experimental verification of radiation-sensitizing effects
Genome-wide in-silico characterization and expression profiles of serpin gene family in foxtail millet (Setaria italica)
In silico identification of novel IL-1β inhibitors to target protein-protein interfaces
Theoretical improvement of the specific inhibitor of human carbonic anhydrase VII
Characterization and distribution of repetitive elements in association with genes in the human genome
Drug-drug interaction prediction based on graph contrastive learning and dual-view fusion
In-silico analysis of non-synonymous single nucleotide polymorphisms in human β-defensin type 1 gene reveals their impact on protein-ligand binding sites
Computer-aided Determination of Microfragmentary Composition of Organic Molecule by Mass-, and 1 H- and 13 C-NMR Spectra
EdiPy: A resource to simulate the evolution of plant mitochondrial genes under the RNA editing
In silico and in vitro assessment of androgen receptor antagonists
Structural evaluation of BTK and PKCδ mediated phosphorylation of MAL at positions Tyr86 and Tyr106
Link test - A statistical method for finding prostate cancer biomarkers
Structure-based design and confirmation of peptide ligands for neuronal polo-like kinase to promote neuroregeneration
A rebuttal to the comments on the genome order index
Bio-activity of aminosulfonyl ureas in the light of nucleic acid bases and DNA base pair interaction
Chemical characterization, computational analysis and biological views on Daphne gnidioides Jaub. & Spach extracts: Can a new raw material be provided for biopharmaceutical applications?
Discrete-time stochastic modeling and simulation of biochemical networks
An interface between the IBM PC/XT and the PAR model 273 potentiostat/galvanostat
GTT - A Group Theory Trainer
Angle dependent total cross sections and the optical theorem
Molecular dynamics study of TMPA mediated dissociation of Nur77-LKB1 complex
Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20M
In silico designing breast cancer peptide vaccine for binding to MHC class I and II: A molecular docking study
Methodological approach to identify immunogenic epitopes candidates for vaccines against emerging pathogens tailored to defined HLA populations
Ab Initio Calculations on the Five-membered Alumino-silicate Framework Rings Model: Implications for Dissolution in Alkaline Solutions
Beyond current boundaries: Integrating deep learning and AlphaFold for enhanced protein structure prediction from low-resolution cryo-EM maps
Insights into high mobility group A (HMGA) proteins from Poaceae family: An in silico approach for studying homologs
Structure-Activity relationship of MDSA and its derivatives against Staphylococcus aureus Ser/Thr phosphatase Stp1
On-line Computer Aided Multi-component Analysis using Organic Elemental Analyzer
Towards an odor communication system
The effect of structure on improvement of the PNA Young modulus: A study of steered molecular dynamics
Three Body Forces in the Lattice Dynamics of FCC Metals
The computation of the distance matrix and the Wiener index for graphs of arbitrary complexity with weighted vertices and edges
Binary Coding of Kekulé Structures of Catacondensed Benzenoid Hydrocarbons
Distance conservation of transcription regulatory motifs in human promoters
Conformational dynamics and energetic perturbations in human β-spectrin-II mediated by calpain cleavage-related mutations: Insights from enhanced sampling simulations
Modeling of tumor growth in dendritic cell-based immunotherapy using artificial neural networks
Density Functional Study of the S0(1Ag) and T1(a3Au) States of the Glyoxal Molecule
Stepwise Assembling of Polypeptide Chain Energy Distributions
B.I.P. an interactive graphic system for indexing energy bands of model polymers
Steric exclusion and constraint satisfaction in multi-scale coarse-grained simulations
Variable Neighborhood Search for Extremal Graphs: IV: Chemical Trees with Extremal Connectivity Index
Bioinformatics analysis and verification of gene targets for renal clear cell carcinoma
e-QSAR (Explainable AI-QSAR), molecular docking, and ADMET analysis of structurally diverse GSK3-beta modulators to identify concealed modulatory features vindicated by X-ray
Computational analyses prioritize and reveal the deleterious nsSNPs in human angiotensinogen gene
Tuning hyperparameters of machine learning algorithms and deep neural networks using metaheuristics: A bioinformatics study on biomedical and biological cases
In silico evaluation of the estrogenic activity of flavonoids from Butea monosperma: Exploring phytoestrogenic alternatives to endogenous estrogens
Searching for potential xanthine oxidase inhibitors from Vietnamese herb plants via computational studies
HBV-encoded microRNA candidate and its target
In silico analysis of different signal peptides for the secretory production of recombinant human keratinocyte growth factor in Escherichia coli
Allosteric inhibition abrogates dysregulated LFA-1 activation: Structural insight into mechanisms of diminished immunologic disease
Modernization of the MX-1321Mass-spectrometer: a New Information System for GC/MS Analysis
Design and screening of syringic acid analogues as BAX activators-An in silico approach to discover "BH3 mimetics"
Deposition and extension approach to find longest common subsequence for thousands of long sequences
Detection of nucleotide sequences capable of forming non-canonical DNA structures: Application of automata theory
Workflow based framework for life science informatics
Integer linear programming as a tool for constructing trees from quartet data
Targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches
From 16S rRNA to deep learning: Evolution of computational approaches in human microbiome studies
In silico analyses of heat shock protein 60 and calreticulin to designing a novel vaccine shifting immune response toward T helper 2 in atherosclerosis
Identification of novel CA IX inhibitor: Pharmacophore modeling, docking, DFT, and dynamic simulation
Bioinformatics and In Vitro Study Reveal ERα as The Potential Target Gene of Honokiol to Enhance Trastuzumab Sensitivity in HER2+ Trastuzumab-Resistant Breast Cancer Cells
Exploiting the performance of dictionary-based bio-entity name recognition in biomedical literature
Evaluation of normal frequencies for isotopic nonlinear X-Y-Z molecules by a programmable calculator
Evaluation of Spartan Semi-empirical Molecular Modeling Software for Calculations of Molecules on Surfaces: CO Adsorption on Ni(111)
Automatic RNA Secondary Structure Prediction with a Comparative Approach
Dynamic comprehensive learning-based dung beetle optimizer using triangular mutation for polyps image segmentation
Designing & screening of siRNA molecules for silencing the impact of the VEGF gene in cancer cells
Synthesis, In Vitro, and In Silico studies of imide derivatives of phthalic anhydride as potential antimicrobial agents
Small molecule ligand docking to genotype specific bundle structures of hepatitis C virus (HCV) p7 protein
In silico identification of natural products with anticancer activity using a chemo-structural database of Brazilian biodiversity
Pharmacophore modeling, virtual screening and molecular docking of ATPase inhibitors of HSP70
Sequence "Signals": Artifact or Reality?
A comparative multivariate analysis of nitrilase enzymes: An ensemble based computational approach
Targeting TNBC metastasis: In-silico identification of natural origin ROCK inhibitors via virtual screening, ADMET profiling, MM-GBSA, DFT, and molecular dynamics
Applications of Neural Network Prediction of Conformational States for Small Peptides From Spectra and of Fold Classes
Simulating cellular dynamics through a coupled transcription, translation, metabolic model
An optimization algorithm for conformer generation based on the bond contribution ranking
Censor - a Program for Identification and Elimination of Repetitive Elements From DNA Sequences
Dissection of hubs and bottlenecks in a protein-protein interaction network
Predicting optimal drugs for fin rot by reverse topological QSPR analysis
PreTKcat: A pre-trained representation learning and machine learning framework for predicting enzyme turnover number
m6A-Finder: Detecting m6A methylation sites from RNA transcriptomes using physical and statistical properties based features
The Multigene Families of Guanine Nucleotide-binding Proteins: Evolutionary and Computational Analysis
Application of an integrated cheminformatics-molecular docking approach for discovery for physicochemically similar analogs of fluoroquinolones as putative HCV inhibitors
Theoretical Investigations of a point mutation affecting H5 Hemagglutinin's receptor binding preference
Improving neural protein-protein interaction extraction with knowledge selection
Short communication for targeting natural compounds against HER2 kinase domain as potential anticancer drugs applying pharmacophore based molecular modelling approaches- part 2
Calorimetric data collection using computers
Sesquiterpene metabolites from Pogostemon cablin leaf essential oil as acetylcholinesterase inhibitors: An integrated computational and phytochemical study
Rapid calculation of first and second derivatives of conformational energy with respect to dihedral angles for proteins general recurrent equations
The eigenvalue problem in configuration inteaction calculations: A computer program. based on a new derivation of the algorithm of Davidson
Predicting melting temperature directly from protein sequences
An efficient perturbation method to predict the functionally key sites of glutamine binding protein
DECFAM - A new computer oriented algorithm for the determination of equilibrium constants from potentionmetric and/or spectrophotometric measurements - I: Basic principles of the method and calculations of equilibrium concentrations
Diffusion in a Bidispersive Grain of a Reforming Catalyst
Computer Assisted Analysis of Complex Infrared Absorption Spectra
A Global Optimization Strategy for Predicting -helical Protein Tertiary Structure
Identification of novel Plasmodium falciparum PI4KB inhibitors as potential anti-malarial drugs: Homology modeling, molecular docking and molecular dynamics simulations
Ortho_Sim_Loc: Essential protein prediction using orthology and priority-based similarity approach
Prior-knowledge-based Feedforward Network Simulation of True Boiling Point Curve of Crude Oil
501Y.V2 spike protein resists the neutralizing antibody in atomistic simulations
LigDockTailor: Ligand-specific docking tool matching using multidimensional descriptors
Improvements in the computer enumeration of permutation isomers
The ClCFF/PI+ MGA program package efficiency and versatility in molecular mechanics
A local average connectivity-based method for identifying essential proteins from the network level
FORTRAN and the Art of PC Programming : By Tim Ward and Eddie Bromhead, Wiley, Chichester, U.K., 1989
Local Weighting Schemes for Protein Multiple Sequence Alignment
A two-step joint model based on deep learning realizes intelligent recognition of exfoliated cells in serous effusion
Evolution of Simple Sequence Repeats
Quinoline containing chalcone derivatives as cholinesterase inhibitors and their in silico modeling studies
Dissipative Exponentially-fitted Methods for the Numerical Solution of the Schrödinger Equation
Discovery of potential inhibitor against human acetylcholinesterase: a molecular docking and molecular dynamics investigation
Data base for force fields and for molecular unit definitions
QM/MM reveals the sequence of substrate binding during OPRT action
conLSH: Context based Locality Sensitive Hashing for mapping of noisy SMRT reads
QM/MM study of N501 involved intermolecular interaction between SARS-CoV-2 receptor binding domain and antibody of human origin
Computer-assisted enumeration of walks and self-returning walks on chemical graphs
Antihyperlipidemic mechanisms of a formula containing Curcuma xanthorrhiza, Sechium edule, and Syzigium polyanthum : In silico and in vitro studies
Improving binding affinity prediction by emphasizing local features of drug and protein
Single-cell transcriptome sequencing revealed the metabolic changes and microenvironment changes of cardiomyocytes induced by diabetes
Identification of IrtAB inhibitors as novel therapeutic agents against drug-resistant Mycobacterium tuberculosis
Automatic curve-fitting-ll. Linear equations
The effect of in silico targeting Pseudomonas aeruginosa patatin-like protein D, for immunogenic administration