yusuke1997/dblp-id-title huggingface dataset:
Cytomorphic electronic system design of apoptosis pathway with extrinsic and intrinsic perturbations
Computer aided chemistry - III. Spectral envelope deconvolution based on a simplex optimization procedure
Inhibitory activity of hibifolin on adenosine deaminase- experimental and molecular modeling study
TransNeT-CGP: A cluster-based comorbid gene prioritization by integrating transcriptomics and network-topological features
Finding rule groups to classify high dimensional gene expression datasets
Inferring gene regulatory network from single-cell transcriptomic data by integrating multiple prior networks
Advancing explainable AI in healthcare: Necessity, progress, and future directions
Comments on 'Flexibility of enzymatic transitions as a hallmark of optimized enzyme steady-state kinetics and thermodynamics'
A pharmacoinformatic approach on Cannabinoid receptor 2 (CB2) and different small molecules: Homology modelling, molecular docking, MD simulations, drug designing and ADME analysis
Computational identification of 48 potato microRNAs and their targets
DM-RPIs: Predicting ncRNA-protein interactions using stacked ensembling strategy
Improved QSARs for Predictive Toxicology of Halogenated Hydrocarbons
CCFS: A cooperating coevolution technique for large scale feature selection on microarray datasets
CAMWI: Detecting protein complexes using weighted clustering coefficient and weighted density
Gliotoxin triggers cell death through multifaceted targeting of cancer-inducing genes in breast cancer therapy
Comments On Two Articles
An example of the utility of linear programming- II. Nonlinear application
Calculation of the Pressure Dependence of Anion Polarizabilities in Crystals
The potential of natural product vs neurodegenerative disorders: In silico study of artoflavanocoumarin as BACE-1 inhibitor
EPEK: Creation and analysis of an Ectopic Pregnancy Expression Knowledgebase
Genome-wide predicting disease-related protein complexes by walking on the heterogeneous network based on data integration and laplacian normalization
A physicochemical descriptor based method for effective and rapid screening of dual inhibitors against BACE-1 and GSK-3β as targets for Alzheimer's disease
Utilizing neighborhood topological indices for QSPR analysis of clinically approved immunosuppressive drugs in heart transplant therapy
The analysis of kinetic results from discharge flow/shock tube experiments with interactive computer graphics
Numerical methods: An implementation of difsub on an ibm-pc
Synthesis, cytotoxicity, apoptosis and molecular docking studies of novel phenylbutyrate derivatives as potential anticancer agents
Modern Approaches to Chemical Reaction Searching, Proceedings of a Conference organized by the Chemical Structure Association of the University of York, England, 8-11 July 1985 : Edited by Peter Willett, Gower Publishing Company Limited, Aldershot, England, 1986. ISBN 0 566 03550 2; 262 pp
CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats
Numerical Simulation and Factorial Design of Titanium Crevice Corrosion in Sodium Chloride Solution
The frequency of poly(G) tracts in the human genome and their use as a sensor of DNA damage
Predicting associations between drugs and G protein-coupled receptors using a multi-graph convolutional network
Computational Experiments in Molecular Biology: Searching for the 'Big Picture'
Introduction to the symposium In print on molecular mechanics
In Silico design and molecular dynamics analysis of imidazole derivatives as selective cyclooxygenase-2 inhibitors
Computer generation of symmetry-adapted molecular orbitals
The Physical Meaning of Topological Indices
Integrated in silico and experimental discovery of trimeric peptide ligands targeting Butyrylcholinesterase
Gene expression regulation of the PF00480 or PF14340 domain proteins suggests their involvement in sulfur metabolism
Large Order Perturbation Theory and Summation Methods in Quantum Mechanics: By G. A. Arteca, F. M. Fernández and E. A. Castro. Springer, New York; 1990. ISBN 0-387-52847-4. 638pp
Application of residue distribution along the sequence for discriminating outer membrane proteins
Use of Receiver Operating Characteristic (ROC) Analysis to Evaluate Sequence Matching
Prediction of potential drug-microbe associations based on matrix factorization and a three-layer heterogeneous network
Structural and Dynamical Properties of Concentrated Aqueous NaOH Solutions: A Computer Simulation Study
Unraveling the interplay between cardiovascular diseases and alcohol use disorder: A bioinformatics and network-based exploration of shared molecular pathways and key biomarkers validation via western blot analysis
What Is Biology?
Revisiting structural organization of proteins at high temperature from a network perspective
Radiosensitivity enhancement of bismuth-based nanoparticles in radiotherapy: A systematic review and meta-analysis
DVDSON: A subroutine to evaluate selected sets of eigenvalues and eigenvectors of large symmetric matrices
MOLMEC. a general approach to molecular mechanics computations
Procedure for processing spectroscopic dispersion vs absorption (DISPA) line shapes
In silico drug design of inhibitor of nuclear factor kappa B kinase subunit beta inhibitors from 2-acylamino-3-aminothienopyridines based on quantitative structure-activity relationships and molecular docking
Comparison of linear gap penalties and profile-based variable gap penalties in profile-profile alignments
PathMolD-AB: Spatiotemporal pathways of protein folding using parallel molecular dynamics with a coarse-grained model
Monte Carlo-based rigid body modelling of large protein complexes against small angle scattering data
Molecular Property Correlation in Haloethanes with Geometric Volume
Structural and functional insights of STAT2-NS5 interaction for the identification of NS5 antagonist - An approach for restoring interferon signaling
A new feature selection method based on symmetrical uncertainty and interaction gain
Modeling, docking and dynamics simulations of a non-specific lipid transfer protein from Peganum harmala L
Modelling variations in corallite morphology of Galaxea fascicularis coral colonies with depth and light on coastal fringing reefs in the Wakatobi Marine National Park (S.E. Sulawesi, Indonesia)
An Integrated Microcomputer System for Real-time Monitoring of Luminescent Signals From Multiple-well Disks
Molecular docking and dynamics simulations of 4-heteroarylidenamino-4,5-dihydro-1H-1,2,4-triazol-5-one derivatives as potential anticancer agents
An ensemble learning framework for potential miRNA-disease association prediction with positive-unlabeled data
Automatic deductive systems - I. Chemical reaction models
Skin cancer detection using harmonic brown bear optimization enabled transfer learning
Tensor: a Program to Extract Hyperfine Tensors from Single Crystal EPR and ENDOR Data
Computerized Multiple Input Chromatography : By M. Kaljurand and E. Kullik, Ellis Horwood, Chichester, U.K., 1989. ISBN 1-3142-5978, 219 p. + index
A microcomputer/hall probe data acquisition system for a magnetic sector mass spectrometer
On updating the inverse of the Jacobian matrix
Design and characterization of defined alpha-helix mini-proteins with intrinsic cell permeability
A DFT study on the metal ion selectivity of deferiprone complexes
Erratum to "High Order Spatial Discretisations in Electrochemical Digital Simulation. 2. Combination with the Extrapolation Algorithm": [Computers & Chemistry 25(2001) 205-214]
Molecular Modeling of the Catalytic Domain of Serine/threonine Phosphatase-1with the Zn2+ and Mn2+ Di-nuclear Ion Centers in the Active Site
Computational docking investigation of phytocompounds from bergamot essential oil against Serratia marcescens protease and FabI: Alternative pharmacological strategy
SYMAPPS 1.0: A Software Packet for Group Theoretical Applications to Molecular Symmetry
Prediction of protein structural class based on symmetrical recurrence quantification analysis
Characterization of the secondary metabolite biosynthetic gene clusters in archaea
Deceptive responsive genes in gel-based proteomics
A Mechanistic View of Proteins and Their Sequences
SYMTERM - Program for Modelling Chemical Processes in Non-isothermal Conditions
A Global Compositional Complexity Measure for Biological Sequences: AT-rich and GC-rich Genomes Encode Less Complex Proteins
DeepELR: Deep learning-based energy and link stability aware routing in IoT for heart disease classification
Unraveling the intricate physiological processes dysregulated in CHD-affected and Dan-Lou tablet-treated individuals
An integrative in silico approach to the structure of Omp33-36 in Acinetobacter baumannii
Approximation for Sums and Densities of State of Vibrations Coupled with Symmetric Top K-rotor
Unlocking the anticancer role of alpha-phellandrene via TRPM4 channel modulation in lung cancer
Databases of MRNA Untranslated Regions for Metazoa
A minicomputer-based system for process control, data acquisition, and data analysis in a diverse fast kinetics facility
MethylMSI: Prediction of microsatellite instability based on DNA methylation profile and SVM model
HC-HDSD: A method of hypergraph construction and high-density subgraph detection for inferring high-order epistatic interactions
Computational analysis and in vivo validation of a microRNA encoded by the IBTK gene, a regulator of B-lymphocytes differentiation and survival
Chemical reaction optimization for solving shortest common supersequence problem
An Expert System for the Numerical Solution of the Radial Schrödinger Equation
A Compiler for a Linear Chemical Notation
Interface inhibitory action on Interleukin-1β using selected anti-inflammatory compounds to mitigate the depression: A computational investigation
A novel biological role for nsLTP2 from Oriza sativa: Potential incorporation with anticancer agents, nucleosides and their analogues
1, 3-Oxazole derivatives as potential anticancer agents: Computer modeling and experimental study
Microcomputer based programs for the analysis and simulation of presteady state kinetics
Inter-domain linker prediction using amino acid compositional index
Approximate Reasoning of the Chemical Reactivity for Computer Simulation of Chemical Reactions
Calculation of the Strain Derivatives of the Static Dielectric Constant Within the Framework of the Exchange Charge Model Using Different Short Range Potential Forms
Computer-aided de novo design and optimization of novel potential inhibitors of HIV-1 Nef protein
A comparison of the simplex and Gauss iterative, algorithms for curve fitting in Mössbauer spectra
Sparse regularized discriminant analysis with application to microarrays
Accurately identifying positive and negative regulation of apoptosis using fusion features and machine learning methods
Molecular modeling studies to discover novel mIDH2 inhibitors with high selectivity for the primary and secondary mutants
Machine learning and molecular subtyping reveal the impact of diverse patterns of cell death on the prognosis and treatment of hepatocellular carcinoma
Determination of the Position of an Atom in Space from Three Interatomic Distances
Molecular symmetry eigenfunctions for many-electron calculations
Molecular docking, dynamics simulations and 3D-QSAR modeling of arylpiperazine derivatives of 3, 5-dioxo-(2H, 4H)-1, 2, 4-triazine as 5-HT 1A R agonists
HIVCoR: A sequence-based tool for predicting HIV-1 CRF01_AE coreceptor usage
A hybrid ensemble and evolutionary algorithm for imbalanced classification and its application on bioinformatics
Extending the applicability of the O-ring theory to protein-DNA complexes
On Variable-step Methods for the Numerical Solution of Schrödinger Equation and Related Problems
Intmol: Minimization of long range interactions as a function of intermolecular angular parameters
Computational insight into the phthalocyanine-DNA binding via docking and molecular dynamics simulations
A meta-analysis of tumor necrosis factor (TNF) gene polymorphism and susceptibility to influenza A (H1N1)
GlucoKinaseDB: A comprehensive, curated resource of glucokinase modulators for clinical and molecular research
A multi-class fundus disease classification system based on an adaptive scale discriminator and hybrid loss
Consensus analysis of multiple classifiers using non-repetitive variables: Diagnostic application to microarray gene expression data
Classical molecular dynamics simulation identifies catechingallate as a promising antiviral polyphenol against MPOX palmitoylated surface protein
A New Approach to the Resolution of the Excitation-emission Spectra of Multicomponent Systems
Terpenoid phytocompounds from mangrove plant Xylocarpus moluccensis as possible inhibitors against SARS-CoV-2: In silico strategy
Discovery of potential Zika virus RNA polymerase inhibitors by docking-based virtual screening
Drug repositioning in castration-resistant prostate cancer using systems biology and computational drug design techniques
Maximizing lipocalin prediction through balanced and diversified training set and decision fusion
Screening and insilico analysis of deleterious nsSNPs (missense) in human CSF3 for their effects on protein structure, stability and function
Exploring of antioxidant and antibacterial properties of novel 1, 3, 4-thiadiazole derivatives: Facile synthesis, structural elucidation and DFT approach to antioxidant characteristics
Roles of the respective loops at complementarity determining region on the antigen-antibody recognition
Effect of osmolytes on the EcoRI endonuclease: Insights into hydration and protein dynamics from molecular dynamics simulations
SMILES as an alternative to the graph in QSAR modelling of bee toxicity
An insight into in silico strategies used for exploration of medicinal utility and toxicology of nanomaterials
Systematic evaluation of the mechanisms of zoledronic acid based on network pharmacology
Design, synthesis, structural characterization, cytotoxicity and computational studies of Usnic acid derivative as potential anti-breast cancer agent against MCF7 and T47D cell lines
Solvent Effect on the Nonlinear Optical Properties of Para-nitroaniline Studied By Langevin Dipoles-Monte Carlo (LD/MC) Approach
In silico structural and functional analysis of Mesorhizobium ACC deaminase
Accurate Computations for the Elastic Scattering Phase-shift Problem
Optimization of virtual screening against phosphoinositide 3-kinase delta: Integration of common feature pharmacophore and multicomplex-based molecular docking
Angle Dependent Total Cross Sections and the Optical Theorem
An integer programming approach to DNA sequence assembly
In-silico identification and validation of Silibinin as a dual inhibitor for ENO1 and GLUT4 to curtail EMT signaling and TNBC progression
Synthesis and evaluation of aldose reductase inhibition of new thiazolidine-quinazoline hybrids through in vitro and in silico approaches
Molecular dynamics-assisted pharmacophore modeling of caspase-3-isatin sulfonamide complex: Recognizing essential intermolecular contacts and features of sulfonamide inhibitor class for caspase-3 binding
Program system SIDYS: Simulation and parameter identification of dynamic systems
TCGAimmunosurv: An R package to identify genes associated with patient survival and immune cell state transitions using TCGA and single-cell RNA-seq data
G-rich VEGF aptamer as a potential inhibitor of chitin trafficking signal in emerging opportunistic yeast infection
An integrated bioinformatics and machine learning-based approach to depict key immunological players associated with candidemia during immunodeficiency
DeepRHD: An efficient hybrid feature extraction technique for protein remote homology detection using deep learning strategies
Collective variable driven molecular dynamics to improve protein-protein docking scoring
Protein fold recognition based on functional domain composition
A structural comparative approach to identifying novel antimalarial inhibitors
On the impact of discreteness and abstractions on modelling noise in gene regulatory networks
Algorithm for Rapid Retrieval of Elemental Information
A fast system for the best matching of two sets of atomic coordinates
Genome-wide identification and expression analysis of SWI1 genes in Boechera species
Design and verification of halogen-bonding system at the complex interface of human fertilization-related MUP PDZ5 domain with CAMK's C-terminal peptide
Metaheuristics for multiple sequence alignment: A systematic review
Neural Network-molecular Descriptors Approach to the Prediction of Properties of Alkenes
Automated prediction of three-way junction topological families in RNA secondary structures
Deciphering chondrocyte diversity in diabetic osteoarthritis through single-cell transcriptomics
Identification of human microRNA-disease association via hypergraph embedded bipartite local model
CE-PLoc: An ensemble classifier for predicting protein subcellular locations by fusing different modes of pseudo amino acid composition
Nucleotide Sequences Versus Markov Models
A simulation model for stem cells differentiation into specialized cells of non-connective tissues
Recognition of Environmental and Genetic Effects on Barley Phenolic Fingerprints by Neural Networks
The sorting direct method for stochastic simulation of biochemical systems with varying reaction execution behavior
Discovery of novel PARP1 inhibitors through computational drug design approaches
Mechanistic insights into marine-derived PDE6D inhibitors disrupting prenyl-binding to modulate leukemia-associated RAS trafficking
Automatic Identification by 13C NMR of Substituent Groups Bonded in Natural Product Skeletons
CWLy-SVM: A support vector machine-based tool for identifying cell wall lytic enzymes
scREPA: Predicting single-cell perturbation responses with cycle-consistent representation alignment
Statistical analysis of combinatorial transcriptional regulatory motifs in human intron-containing promoter sequences
Rearrangements of DNA Sequences and SBH
The Effect of the Discretization of the Mixed Boundary Conditions on the Numerical Stability of the Crank-Nicolson Algorithm of Electrochemical Kinetic Simulations
OSADHI - An online structural and analytics based database for herbs of India
Moltw: A program for conformational studies using empirical functions - I. Description and general evaluation
Determining Protein Structure using the Distance Geometry Program APA
Structure-based grafting and identification of kinase-inhibitors to target mTOR signaling pathway as potential therapeutics for glioblastoma
Computational insight into nitration of human myoglobin
ChemISTools: A Computer Software for Chemical Information Systems
Node-based differential network analysis in genomics
Identification of new drug-like compounds from millets as Xanthine oxidoreductase inhibitors for treatment of Hyperuricemia: A molecular docking and simulation study
A microcomputer program for the analysis of gas chromatographic data
Evaluation of potential inhibitors of squalene synthase based on virtual screening and in vitro studies
Rival penalized competitive learning (RPCL): a topology-determining algorithm for analyzing gene expression data
A Computer-based Trigger System for a Laser Induced Plasma Spectrometer
Artificial Intelligence in Chemistry-structure Elucidation and Simulation of Organic Reactions : by Z. HIPPE. Elsevier, Amsterdam (1991). ISBN 0-444-98746-0, 278 + Xii Pp
cDNA cloning, expression and bioinformatical analysis of Tssk genes in tree shrews
Modelling effects of geoengineering options in response to climate change and global warming: Implications for coral reefs
Chemical symbols and special characters on the apple microcomputer
A fundamental study of the PCR amplification of GC-rich DNA templates
New thiazine derivatives with dual potential for lipoxygenase inhibition and hemolytic activity: Synthesis, characterization and molecular docking studies
A Computational approach to screen, predict and annotate human and chimpanzee PHEX intronic miRNAs, their gene targets, and regulatory interaction networks
Computer program for determining the porous texture of solids using a modified broekhoff-de boer method
Automatic 'balancing' of Chemical Equations
Computational therapeutic repurposing of tavaborole targeting arginase-1 for venous leg ulcer
Structural insight into the glucokinase-ligands interactions. Molecular docking study
A survey of disease connections for CD4+ T cell master genes and their directly linked genes
A structure-based approach to discover a potential isomerase Pin1 inhibitor for cancer therapy using computational simulation and biological studies
Diagnosis of leukemia using microarray analysis based on Hidden Markov Model and Random Convolutional Kernel Transform
Computational identification of microRNAs and their targets
DeepPLM_mCNN: An approach for enhancing ion channel and ion transporter recognition by multi-window CNN based on features from pre-trained language models
Homology modeling, agonist binding site identification, and docking in octopamine receptor of Periplaneta americana
The Visual Display of Quantitative Information.dta : by Edward R. Tufte, Graphics Press, P.O. Box 430, Cheshire, CT 06410, U.S.A., 1983, 190 pages plus index
Advances in bioinformatic approaches to tardigrade phylogeny
A graph-based multi-sample test for identifying pathways associated with cancer progression
Discovery of network motifs based on induced subgraphs using a dynamic expansion tree
Calculator least squares evaluation of k, y 0 and y for the first order rate equation
Cofolga: a genetic algorithm for finding the common folding of two RNAs
Detection of potential positive regulatory motifs of transcription in yeast introns by comparative analysis of oligonucleotide frequencies
Structural modeling of human organic cation transporters
The metabolic pH response in Lactococcus lactis: An integrative experimental and modelling approach
At a glance: Cellular biology for engineers
Prediction of drug-target interaction by integrating diverse heterogeneous information source with multiple kernel learning and clustering methods
Computational discovery of RSV Pre-F inhibitors via reinforcement learning-driven ab initio design from natural fragment libraries
Molecular dynamics study on the ligand recognition by tandem SH3 domains of p47 phox , regulating NADPH oxidase activity
Sequence assembly
Three-dimensional Quantitative Structure-activity Relationship for Several Bioactive Peptides Searched by a Convex Hull-comparative Molecular Field Analysis Approach
An improved computer program for eigenvectors and eigenvalues of large configuration interaction matrices using the algorithm of Davidson
Rationalization of a traditional liver medicine using systems biology approach and its evaluation in preclinical trial
DFT and QTAIM based investigation on the structure and antioxidant behavior of lichen substances Atranorin, Evernic acid and Diffractaic acid
Artificial Neural Network Model for Predicting Protein Subcellular Location
Quasiharmonic Lattice Dynamics of Body Centred Cubic Metals
Heuristic energy landscape paving for protein folding problem in the three-dimensional HP lattice model
In silico analysis and prediction of transcription factors of the proteins interacting with astrocyte elevated gene-1
Investigation of putative roles of smoking-associated salivary microbiome alterations on carcinogenesis by integrative in silico analysis
Functional characterization of plant small RNAs based on next-generation sequencing data
In silico development of anesthetics based on barbiturate and thiobarbiturate inhibition of GABA A
Discovery of potent IRAK-4 inhibitors as potential anti-inflammatory and anticancer agents using structure-based exploration of IRAK-4 pharmacophoric space coupled with QSAR analyses
In silico approaches for the identification of virulence candidates amongst hypothetical proteins of Mycoplasma pneumoniae 309
SpliceVec: Distributed feature representations for splice junction prediction
Identification of miRNA, their targets and miPEPs in peanut ( Arachis hypogaea L.)
The marijuana-schizophrenia multifaceted nexus: Connections and conundrums towards neurophysiology
Laplacian normalization and random walk on heterogeneous networks for disease-gene prioritization