yusuke1997/dblp-id-title huggingface dataset:
Cytokine expression patterns: A single-cell RNA sequencing and machine learning based roadmap for cancer classification
Human drug-pathway association prediction based on network consistency projection
Serum levels of PSA and VEGF2 as the prognosis markers for bone metastasis of prostate cancer: A retrospective study
Exploring the evolutionary trajectory and functional landscape of cannabinoid receptors: A comprehensive bioinformatic analysis
Expression patterns of photoperiod and temperature regulated heading date genes in Oryza sativa
Applications of the Pyramidal Clustering Method to Biological Objects
Cyclic tetrapeptides I: the calculated potential energy minima of cyclic tetrapeptides composed of small amino-acid residues
Identification of promising inhibitory heterocyclic compounds against acetylcholinesterase using QSAR, ADMET, biological activity, and molecular docking
Automatic Detection of Conserved Base Pairing Patterns in RNA Virus Genomes
Genome-wide analysis of Excretory/Secretory proteins in root-knot nematode, Meloidogyne incognita provides potential targets for parasite control
A novel wearable device for continuous, non-invasion blood pressure measurement
Evolution Escapes Rugged Fitness Landscapes by Gene Or Genome Doubling: the Blessing of Higher Dimensionality
Calcul des paramétres cinetiques de reactions d'ordre 1 étudiés par microcalorimétrie différentielle non isotherme
Non-homogeneous Poisson and renewal processes as spatial models for cancer mutation
Virtual screening and repositioning of inconclusive molecules of beta-lactamase Bioassays - A data mining approach
Improved data processing for electroanalytical measurements
MOCCS: Clarifying DNA-binding motif ambiguity using ChIP-Seq data
Direct correlation analysis improves fold recognition
Unlocking the anti-aging potential: In silico analysis of astaxanthin, curcumin, quercetin, and resveratrol in modulating skin aging pathways
Overlapping genetic codes for overlapping frameshifted genes in Testudines, and Lepidochelys olivacea as special case
Quantum Chemical Descriptors for Linear Solvation Energy Relationships
Hidden Markov Chains and the Analysis of Genome Structure
On a double minimum vlbratlonal potential
Application of Image Analysis Techniques to Two-dimensional Crossed Immunoelectrophoresis Study
In silico analysis of carbohydrate-binding pockets in the lectin genes from various species of Canavalia
A Comparative QSAR Study of Benzamidines Complement-inhibitory Activity and Benzene Derivatives Acute Toxicity
PayloadGenX, a multi-stage hybrid virtual screening approach for payload design: A microtubule inhibitor case study
Parallel Processing of Chemical Information in a Local Area Network - II. a Parallel Cross-validation Procedure for Artificial Neural Networks
Glycosylation is key for enhancing drug recognition into spike glycoprotein of SARS-CoV-2
279 Val→Phe Polymorphism of lipoprotein-associated phospholipase A 2 resulted in changes of folding kinetics and recognition to substrate
Computational analysis for the determination of deleterious nsSNPs in human MTHFR gene
The Extended Version of the Computer Package CST for Conversions, Standardization and Transformations of the Spin Hamiltonian and the Crystal-field Hamiltonian
Exploring the inhibitory potential of bioactive compound from Luffa acutangula against NF-κB - A molecular docking and dynamics approach
piClust: A density based piRNA clustering algorithm
Response surface methodology in drug design: A case study on docking analysis of a potent antifungal fluconazole
The significance of chromosome conformation capture in 3D genome architecture comprehension
An integrative approach predicted co-expression sub-networks regulating properties of stem cells and differentiation
New Approaches to Potential Energy Minimization and Molecular Dynamics Algorithms
Multi-scale DNA language model improves 6 mA binding sites prediction
Decoding the role of novel long noncoding RNAs lnc-SLC6A12-1:3 and lnc-SLC6A12-7:5 in regulating the expression of GAD1 and SLC6A12 in cholangiocarcinoma
Hidden Markov model and Chapman Kolmogrov for protein structures prediction from images
LPI-CSFFR: Combining serial fusion with feature reuse for predicting LncRNA-protein interactions
Cell-type specific gene signatures reveal novel immune checkpoints and prognostic markers in lung cancer
Similarity/dissimilarity analysis of protein structures based on Markov random fields
Inferring Genes From Open Reading Frames
Large replication skew domains delimit GC-poor gene deserts in human
Drug repurposing for Basal breast cancer subpopulations using modular network signatures
Integrating multi-omics data for personalized nutrition using knowledge graphs and graph neural networks: A comprehensive review
Modeling the folding and hydrogen production of Clostridium acetobutylicum and Clostridium saccharobutylium mutants using electrostatic potential surfaces and molecular dynamics
Discovery of pyrazole derivatives as promising leads against NSCLC: An integrated computational and experimental approach
Support vector machine with a Pearson VII function kernel for discriminating halophilic and non-halophilic proteins
Identification and characterization of lysine-methylated sites on histones and non-histone proteins
Exploring immune gene expression and potential regulatory mechanisms in anaplastic thyroid carcinoma using a combination of single-cell and bulk RNA sequencing data
Photosynthetic models with maximum entropy production in irreversible charge transfer steps
Guided macro-mutation in a graded energy based genetic algorithm for protein structure prediction
Estimation of important binding sites in compounds that interact with proteins
L'utilisation du langage Prolog pour la decomposition des grands procedes chimiques
Elucidation of partial activation of cannabinoid receptor type 2 and identification of potential partial agonists: Molecular dynamics simulation and structure-based virtual screening
Exhaustive computational search of ionic-charge clusters that mediate interactions between mammalian cytochrome P450 (CYP) and P450-oxidoreductase (POR) proteins
Structure based virtual screening of the Ebola virus trimeric glycoprotein using consensus scoring
METACONE: A scalable framework for exploring the conversion cone of metabolic networks
Theoretical investigations on the interactions of glucokinase regulatory protein with fructose phosphates
Hardware acceleration of BWA-MEM genomic short read mapping for longer read lengths
Identifying meaningful drug response biomarkers from public pharmacogenomic datasets with biologically informed interpretable neural networks
The Photo_T-concept: Hard- and Software Combination for the Determination of Macroscopic and Microscopic Dissociation Constants
Computational identification of novel microRNA homologs in the chimpanzee genome
Chem - a program for phototypesetting chemical structure diagrams
Pharmacokinetic analysis of multi PEG-theophylline conjugates
Exploiting reverse vaccinology approach for the design of a multiepitope subunit vaccine against the major SARS-CoV-2 variants
Protein inference: A protein quantification perspective
Molecular design and structural optimization of potent peptide hydroxamate inhibitors to selectively target human ADAM metallopeptidase domain 17
Gene Identification in Bacterial and Organellar Genomes using GeneScan
Fast Recording Software with Automatic Mass Calibration for the Laser-microprobe-mass-analyzer LAMMA-500
Colonic amyloidosis, computational analysis of the major amyloidogenic species, Serum Amyloid A
The electron projection function: Integrated electron densities from NDO-type wave functions
Identification of Convexity As a Common Structure Feature for Structures Generated for Two Short Peptides
AI screening and molecular dynamic simulation-driven identification of novel inhibitors of TGFßR1 for pancreatic cancer therapy
Using propensity score adjustment method in genetic association studies
Biology and the Measurement Problem
Least squares treatment of the Arrhenius equation by a programmable calculator
Refinement of coding SNPs in the human aryl hydrocarbon receptor gene using ISNPranker: An integrative-SNP ranking web-tool
A novel parallel feature rank aggregation algorithm for gene selection applied to microarray data classification
Program for assigning molecular orbitals to irreducible representations of symmetry groups
Decision tree classifier based on topological characteristics of subgraph for the mining of protein complexes from large scale PPI networks
In-silico structural analysis of E509K mutation in LARGE and T192M mutation in Alpha Dystroglycan in the inhibition of glycosylation of Alpha Dystroglycan by LARGE
A novel k-word relative measure for sequence comparison
A large scale virtual screen of DprE1
Mechanisms of acetylcholinesterase protection against sarin and soman by adenosine A 1 receptor agonist N 6 -cyclopentyladenosine
Computational molecular perspectives on novel carbazole derivative as an anti-cancer molecule against CDK1 of breast and colorectal cancers via gene expression studies, novel two-way docking strategies, molecular mechanics and dynamics
H7N9 influenza outbreak in China 2013: In silico analyses of conserved segments of the hemagglutinin as a basis for the selection of peptide vaccine targets
A Topological Approach to Evaluation of Non-degenerate Schrödinger Perturbation Energy Based on a Circular Scale of Time
From Fold to Function Predictions: An Apoptosis Regulator Protein BID
Numerical Stability of the Saul'yev Finite Difference Algorithms for Electrochemical Kinetic Simulations: Matrix Stability Analysis for an Example Problem Involving Mixed Boundary Conditions
Improved Simple Protocols to Calculate Hydrocarbon Enthalpies of Formation From Ab Initio Total Energies
PrAS: Prediction of amidation sites using multiple feature extraction
Computer evaluation of VirE2 protein complexes for ssDNA transfer ability
Structure-based optimization of salt-bridge network across the complex interface of PTPN4 PDZ domain with its peptide ligands in neuroglioma
CSSP-2.0: A refined consensus method for accurate protein secondary structure prediction
Interface between a Nicolet FTMS/2000 and a quantel Nd: YAG laser using an IBM PC-AT
A procedure for the evaluation of the reduced moment of inertia for internal rotation
Peripheral blood mononuclear cell derived biomarker detection using eXplainable Artificial Intelligence (XAI) provides better diagnosis of breast cancer
Conformational energy derivatives for polypeptides with flexible proline rings
Numerical Evaluation of the Time-dependence of Concentrations, Rates and Kinetic Isotope Effects
Pharmacophore modeling, atom based 3D-QSAR, molecular docking and molecular dynamics studies on Escherichia coli ParE inhibitors
Assessment of chemical libraries for their druggability
Enhancing microbe-disease association prediction via multi-view graph convolution and latent feature learning
ProSTRIP: A method to find similar structural repeats in three-dimensional protein structures
Design and In-silico study of bioimaging fluorescence Graphene quantum dot-Bovine serum albumin complex synthesized by diimide-activated amidation
Molecular mechanism by which residues at position 481 and 546 of measles virus hemagglutinin protein define CD46 receptor binding using a molecular docking approach
Chromosome segregation in Escherichia coli division: A free energy-driven string model
Insights into structure and function of 30S Ribosomal Protein S2 (30S2) in Chlamydophila pneumoniae: A potent target of pneumonia
Modular libraries and literate programming in software for ab initio atomic and molecular electronic structure calculations
Complete genome sequence of Bacillus megaterium JX285 isolated from Camellia oleifera rhizosphere
Computational-based identification and analysis of globally expressed differential genes in high-grade serous ovarian carcinoma cell lines
Gp41 inhibitory activity prediction of theaflavin derivatives using ligand/structure-based virtual screening approaches
Ranking of microRNA target prediction scores by Pareto front analysis
The damage of the Watson-Crick base pairs by nickel nanoparticles: A first-principles molecular dynamics study
Seeding-inspired chemotaxis genetic algorithm for the inference of biological systems
Computer pattern recognition of 13C NMR data for classification of glycosides
A Genetic Algorithm for Conformational Search of Organic Molecules: Implications for Materials Chemistry
The Phototoxicity of Polycyclic Aromatic Hydrocarbons: A Theoretical Study of Excited States and Correlation to Experiment
Ped_Outlier software for automatic identification of within-family outliers
Investigation of Macrocyclic mTOR Modulators of Rapamycin Binding Site via Pharmacoinformatics Approaches
Isochores merit the prefix 'iso'
RNAdemocracy: an ensemble method for RNA secondary structure prediction using consensus scoring
Discovery and validation of novel drug combinations for pulmonary fibrosis via Traditional Chinese Medicine insights and computer screening
On application of directons to functional classification of genes in prokaryotes
The use of a relational data base for holding molecule data in a molecular graphics system
A critical comparison of least absolute deviation fitting (robust) and least squares fitting: The importance of error distributions
Computer plotting of contour maps: an improved method
Comment on "HQRII: A fast diagonaliazation subroutine"
Determination of the first order reaction rate constant by weighted linear regression
A comparative study of new truncation error estimates and intrinsic accuracies of some higher order Runge-Kutta algorithms
Prediction of protein thermostability trends based on the self-attention mechanism driven sparse convolutional network
Instruction of molecular structure similarity and scaffolds of drugs under investigation in ebola virus treatment by atom-pair and graph network: A combination of favipiravir and molnupiravir
Data mining for seeking accurate quantitative relationship between molecular structure and GC retention indices of alkanes by projection pursuit
Disulfide bridge formation to increase thermostability of DFPase enzyme: A computational study
Performance of the HQRII1 diagonalization routine
An in silico approach to elucidate structure based functional evolution of oxacillinase
Compositional features and codon usage pattern of TP63 gene
A knowledge-transfer-based approach for combining ordinal regression and medical scoring system in the early prediction of sepsis with electronic health records
Animal inference on human mitochondrial diseases
Post-genome Informatics: Minoru Kanehisa, Oxford University Press, Oxford, 2000, 148 pages
A HMM-based method to predict the transmembrane regions of \beta-barrel membrane proteins
In silico identification and evaluation of new Trypanosoma cruzi trypanothione reductase (TcTR) inhibitors obtained from natural products database of the Bahia semi-arid region (NatProDB)
L 2, 1 -Extreme Learning Machine: An Efficient Robust Classifier for Tumor Classification
Numerical Methods with FORTRAN 77: A Practical Introduction : By L. V. Atkinson, P. J. Harley and J. D. Hudson, Addison-Wesley, Wokingham, U.K., 1989. ISBN 0-201-17430-8, 386 pp. + index and contents
Research on the application of dynamic weighted KNN with preprocessing based on a normal distribution in metabolomics data imputation
A Rapid Scanning Spectrophotometer: Applications to Some Spectroelectrochemical Experiments
ELSIM - a Problem-solving Environment for Electrochemical Kinetic Simulations. Version 3.0-solution of Governing Equations Associated with Interfacial Species, Independent of Spatial Coordinates Or in One-dimensional Space Geometry
In-silico optimization of resveratrol interaction with nano-borophene: A DFT-guided study of supramolecular artistry
Docking-based virtual screening studies aiming at the covalent inhibition of SARS-CoV-2 M Pro by targeting the cysteine 145
Remote communication between unstructured and structured regions of Bcl-2 tunes its ligand binding capacity: Mechanistic insights
Two-phase biomedical named entity recognition using CRFs
A single-cell approach to analyzing vascular endothelial cell contributions in VEGF-driven angiogenesis and LINC02313 in gastric cancer
NMR Pulse Sequence Generator for a PC Driven Spectrometer
All we need is truth
Modeling chemically reacting flow system-l. A cornparison of finite difference and finite element methods for one-dimensional reactive diffusion
ESFERA: A Program for Exact Calculation of the Volume and Surface Area of Fused Hard-sphere Molecules with Unequal Atomic Radii
In silico identification of outer membrane protein (Omp) and subunit vaccine design against pathogenic Vibrio cholerae
The antiviral drug Ribavirin effectively modulates the amyloid transformation of α-Synuclein protein
Human-chimpanzee alignment: Ortholog exponentials and paralog power laws
Writing friendly programs in modular form
Interactome based biomarker discovery for irritable bowel syndrome - A systems biology approach
Molecular dynamics simulation studies suggests unconventional roles of non-secretary laccases from enteropathogenic gut bacteria and Cryptococcus neoformans serotype D
Using volcano plots and regularized-chi statistics in genetic association studies
Genetic regulation of B cell receptor signaling pathway: Insights from expression quantitative trait locus analysis using a mixed model
Predictive biomarkers of colorectal cancer
Molecular docking utilising the OliveNet™ library reveals novel phenolic compounds which may potentially target key proteins associated with major depressive disorder
Synthesis and evaluation of N-(4-(substituted)-3-(trifluoromethyl) phenyl) isobutyramides and their N-ethyl analogous as anticancer, anti-angiogenic & antioxidant agents: In vitro and in silico analysis
Parameter and state estimation of kinetic and nonlinear dynamic systems
Design of multiplex PCR primers using heuristic algorithm for sequential deletion applications
On the Effect of Potential-energy Cubic-spline Interpolation Error on Numerov-Cooley Diatomic Rovibrational Levels
An Iterative Algorithm for Consistent and Unbiased Estimation of Linear Regression Parameters When There Are Errors in Both the X and Y Variables
Algorithm for a modified Martin-Stanford equation of state
Structural space of intramolecular peptide disulfides: Analysis of peptide toxins retrieved from venomous peptide databases
Identification of coenzyme-binding proteins with machine learning algorithms
Induction of senescence in cancer cells by 5′-Aza-2′-deoxycytidine: Bioinformatics and experimental insights to its targets
2, 4-Ditellurouracil and its 5-fluoro derivative: Theoretical investigations of structural, energetics and ADME parameters
The N-terminal, TPR-containing domain of the mitotic checkpoint protein BUBR1 does not bind fatty acids
Identification of all trinucleotide circular codes
Application of a Kohonen Neural Network to the Analysis of Data Regarding the Alkylation of Toluene with Methanol Catalyzed by ZSM-5Type Zeolites
Three-dimensional protein structure prediction: Methods and computational strategies
A novel feature representation method based on Chou's pseudo amino acid composition for protein structural class prediction
Molecular characterization, evolutionary and phylogenetic analyses of rice ACT/BAT-type amino acid transporters
Investigating Lycotoxin-An1a ( An1a ), a defense antiviral peptide from Alopecosa nagpag venom as prospective anti-dengue agent against DENV-2 NS2B-NS3 protease
An appraisal of thi applicability to molecular packing analysis of some global minimisation techniques
Fitting of Magnetic Susceptibility Data as a Function of Temperature of Various Spin Systems - a FORTRAN Program
Identifying dynamic pathway interactions based on clinical information
Anemia diagnosis from clinical records leveraging tree-driven and XAI-enhanced machine learning
Application of a Bi-directional Associative Memory (BAM) Network in Computer Assisted Learning in Chemistry
Applications of computer algebra in physical chemistry
SurfPro-NN: A 3D point cloud neural network for the scoring of protein-protein docking models based on surfaces features and protein language models
Inhibitory mechanism of 5-bromo-3-indoleacetic acid for non-structural-3 helicase hepatitis C virus with dynamics correlation network analysis
Pascal for FORTRAN programmers: By Robert Weiss and Charles Seiter, Addison-Wesley
Gene selection from microarray data for cancer classification - a machine learning approach
A Reaction Compiler for Electrochemical Kinetics
An efficient nonlinear finite-difference approach in the computational modeling of the dynamics of a nonlinear diffusion-reaction equation in microbial ecology
Fluoropack: A Program Package for Automatic Fluorimetric Measurements
Implementation of an iterative refinement option in a code for large and sparse systems
Applications of the Terminate and Stay Resident Programming Technique for Enhancing Chemical Measurements
Classification Neural Networks for Rapid Sequence Annotation and Automated Database Organization
Prediction of white cabbage (Brassica oleracea var. capitata) self-incompatibility based on neural network and discriminant analysis of complex electrophoretic patterns
Protein knots and fold complexity: Some new twists
A Theoretical Study of the Photoinduced Intramolecular Proton Transfer in 2-(2'-hydroxyphenyl)-imidazoline
A comparative study of the single crystal X-ray determination and molecular modelling of the binding of oligomycin to ATP Synthase
Accelerating drug discovery targeting dihydroorotate dehydrogenase using machine learning and generative AI approaches
Unveiling the distinctive variations in multi-omics triggered by TP53 mutation in lung cancer subtypes: An insight from interaction among intratumoral microbiota, tumor microenvironment, and pathology
Uncovering the therapeutic potential of Si-Miao-Yong-An decoction in abdominal aortic aneurysm: An integrative study combining network pharmacology, machine learning, molecular docking and dynamics simulation
Comparative homology model building and docking evaluation for RNA III inhibiting peptide of Multi drug resistant Staphylococcus aureus strain MRSA252
In-Silico analysis of missense SNPs in Human HPPD gene associated with Tyrosinemia type III and Hawkinsinuria
pACPs-DNN: Predicting anticancer peptides using novel peptide transformation into evolutionary and structure matrix-based images with self-attention deep learning model
In silico virtual screening of potent inhibitor to hamper the interaction between HIV-1 integrase and LEDGF/p75 interaction using E-pharmacophore modeling, molecular docking, and dynamics simulations
HADEG: A curated hydrocarbon aerobic degradation enzymes and genes database
Potential surface graphical study for chemical reactions
Multi-instance multi-label distance metric learning for genome-wide protein function prediction
Quantum molecular modeling of hepatitis C virus inhibition through non-structural protein 5B polymerase receptor binding of C 5 -arylidene rhodanines
Strategies for the Identification, the Assembly and the Classification of Integrated Biological Systems in Completely Sequenced Genomes
Tracing the evolution of the mitochondrial protein import machinery
The multiple-action allosteric inhibition of TYK2 by deucravacitinib: Insights from computational simulations
Optimal hybrid sequencing and assembly: Feasibility conditions for accurate genome reconstruction and cost minimization strategy
Comparison of approaches for parameter estimation on stochastic models: Generic least squares versus specialized approaches
Structure-based drug design; Computational strategies in drug discovery; Antihypertensive agents; Antiviral drugs; Molecular docking; QSAR; Pharmacological insights
Identification of new antibacterial targets in RNA polymerase of Mycobacterium tuberculosis by detecting positive selection sites
Chinese herbal extract Astragalus radix potentiates human ovarian cancer cell cytotoxicity by aggravated ROS production and apoptosis
CNN-BLSTM based deep learning framework for eukaryotic kinome classification: An explainability based approach