yusuke1997/dblp-id-title huggingface dataset:
Scientific Computing and Automation (Europe) 1990: Edited By E.J. Karjalainen. Elsevier, Amsterdam, the Netherlands (1990). ISBN 0-444-88949-3, 488Pp
Computers in nmr-lll. Algorithm for continuously variable knob-controlled CRT display expansion
Promoters of the genes encoding the transcription factors regulating the cytokine gene expression in macrophages contain putative binding sites for aryl hydrocarbon receptor
Deep ensemble model with blockchain technology for lung cancer detection with secured data sharing
Computational investigations of folded self-avoiding walks related to protein folding
Rendering of Ray-traced Images of Molecular Models on Personal Computers
ISDTool: A computational model for predicting immunosuppressive domain of HERVs
Halogen bonding in complexes of proteins and non-natural amino acids
Information Theory in Ecology
Numerical Modelling of the Action of Acetolactate Synthase Isozyme II Using Simplex Optimization
Effective programming for research: Development of software for KINDSIP
A Family of Numerov-type Exponentially Fitted Methods for the Numerical Integration of the Schrödinger Equation
Correlations Between Theoretical and Experimental Determination of Heat of Formation of Certain Aromatic Nitro Compounds
PROSIGN: A method for protein secondary structure assignment based on three-dimensional coordinates of consecutive C alpha atoms
Exploiting Copaifera salikounda compounds as treatment against diabetes: An insight into their potential targets from a computational perspective
Fine grained sampling of residue characteristics using molecular dynamics simulation
REACTKIN--a Program for Modelling the Chemical Reactions in Electrolytes Solutions
The difficult interpretation of transcriptome data: the case of the GATC regulatory network
Algorithms based on solid analytical geometry
Tumor stratification by a novel graph-regularized bi-clique finding algorithm
Genome-wide identification and predictive modeling of lincRNAs polyadenylation in cancer genome
Glycation restrains open-closed conformation of Insulin
CUDA ClustalW: An efficient parallel algorithm for progressive multiple sequence alignment on Multi-GPUs
DTF-diffusion: A 3D equivariant diffusion generation model based on ligand-target information fusion
Application of immunoinformatics to develop a novel and effective multiepitope chimeric vaccine against Variovorax durovernensis
Exploring a novel four-gene system as a diagnostic and prognostic biomarker for triple-negative breast cancer, using clinical variables
An efficient approach for the prediction of ion channels and their subfamilies
A quantitative model of error accumulation during PCR amplification
This Is Biology: The Science of the Living World: Ernst Mayr, Harvard University Press, Cambridge, MA, Publication Date, July 1998. ISBN: 0674884698, Paperback, 1st Ed., 352Pp
Error-correcting Codes and the Genome Project
A General Program to Calculate Moments of the Electron Density Distribution and Multipolar Interactions
In vitro antitumor activity, ADME-Tox and 3D-QSAR of synthesized and selected natural styryl lactones
Deciphering landscape dynamics of cell fate decision via a Lyapunov method
Multi-targeted therapeutic potential of stigmasterol from the Euphorbia ammak plant in treating lung and breast cancer
Pharmacophore modeling coupled with molecular dynamic simulation approach to identify new leads for meprin-β metalloprotease
A calculator program for determination of phosphate buffer composition
Integrated strategy of serum metabolomics, network pharmacology and experimental validation on revealing the bioactive metabolites and mechanism of Lycium ruthenicum Murr. against colorectal carcinoma
Band fitting of ESCA peaks
Multi-Dimensional Scaling based grouping of known complexes and intelligent protein complex detection
Genome-wide identification of alternative splicing related with transcription factors and splicing regulators in breast cancer stem cells responding to fasting-mimicking diet
The anesthetic action of some polyhalogenated ethers - Monte Carlo method based QSAR study
Meta-analysis for ranked discovery datasets: Theoretical framework and empirical demonstration for microarrays
A Rapid Method for Determining Excited State Surface Parameters and Bond Length in Diatomic Molecules and Calculating Wavefunctions for Franck-Condon Factors Using the Quantum Momentum Method
Geometrical Analysis of Structural Changes in Immunoglobulin Domains' Transition From Native to Molten State
CTDN (Convolutional Temporal Based Deep- Neural Network): An Improvised Stacked Hybrid Computational Approach for Anticancer Drug Response Prediction
Structural insights into the binding mechanism of Plasmodium falciparum exported Hsp40-Hsp70 chaperone pair
Prediction of 2-hydroxyisobutyrylation sites by integrating multiple sequence features with ensemble support vector machine
The Cyclic Voltammetry Simulation of a Competition Between Stepwise and Concerted Dissociative Electron Transfer, the Modeling of Alpha Apparent Variability, the Relationship Between Apparent and Elementary Kinetic Parameters
Molecular dynamic simulation analysis of SARS-CoV-2 spike mutations and evaluation of ACE2 from pets and wild animals for infection risk
Identifying the active compounds and mechanism of action of Banxia Xiexin decoction for treating ethanol-induced chronic gastritis using network pharmacology combined with UPLC-LTQ-Orbitrap MS
Implementing link prediction in protein networks via feature fusion models based on graph neural networks
Identify the key genes and pathways of melatonin in age-dependent mice hippocampus regulation by transcriptome analysis
Genome-wide identification and expression analysis of StTCP transcription factors of potato ( Solanum tuberosum L.)
Chemometrics: By Muhammad A. Sharaf, Deborah L. Illman and Bruce R. Kowalski, Wiley, New York, 1986, 326 pages plus index and contents, ISBN 0-471-83106-9
Assessment of high-confidence protein-protein interactome in yeast
MD-UNET: Multi-input dilated U-shape neural network for segmentation of bladder cancer
An Algorithm for the Computation of the Hyper-wiener Index for the Characterization and Discrimination of Branched Acyclic Molecules
Multi-variant kinetic analyses on a microcomputer
A multi-layer neural network approach for the stability analysis of the Hepatitis B model
Transient pockets as mediators of gas molecules routes inside proteins: The case study of dioxygen pathway in homogentisate 1, 2-dioxygenase and its implication in Alkaptonuria development
Understanding the IDH1 missense SNPs on expression of genes involved in Glioblastoma multiforme
A computer representation of synthetic organic reactions
An MC-SCF computation scheme for large scale calculations on polyatomic systems
Optimal control strategies for reducing the interrelated issues of food insecurity and disease dynamics: A mathematical modelling approach using Nigeria as a case study
MESBC: A novel mutually exclusive spectral biclustering method for cancer subtyping
Microcomputer automation of the determination of activation energy
Logical and combinatorial algorithms for drug design: By V. E. Golender and A. B. Rozenblit, Research Studies Press Ltd. ISBN 0-471-90266-7, Letchworth, Hertfordshire, England 1983
ALIGN_MTX - An optimal pairwise textual sequence alignment program, adapted for using in sequence-structure alignment
Monte-Carlo simulation of surface reactions (revisited)
Pressure Dependence of the Transverse Optical Mode Grüneisen Parameter of Crystals
Potential mechanisms for predicting comorbidity between multiple myeloma and femoral head necrosis based on multiple bioinformatics
Intelligent predictive biomechanics of intensely magnetized microbial penta-hybrid nano-blood in an electrified endoscopic ciliated artery
A Quick Robust Method for Assigning a Kekulé Structure
DeepSIRT: A deep neural network for identification of sirtuin targets and their subcellular localizations
In vitro antioxidant (spectrophotometric/electrochemical) and enzymatic activities of aniline derivative Schiff base: Experimental and computational assessment
APL: An angle probability list to improve knowledge-based metaheuristics for the three-dimensional protein structure prediction
The functional landscape bound to the transcription factors of Escherichia coli K-12
Rotational dynamics of large molecules
A Subset-orientated Algorithm for Minimizing the Number of Steps Required for Synthesis of Cyclic-peptide Libraries
Prioritization of potential drug targets against P. aeruginosa by core proteomic analysis using computational subtractive genomics and Protein-Protein interaction network
Improving virtual screening predictive accuracy of Human kallikrein 5 inhibitors using machine learning models
ACP-PDAFF: Pretrained model and dual-channel attentional feature fusion for anticancer peptides prediction
Morphological variation in the oral disc of the scleractinian coral Favia speciosa (Dana) at Indonesia
Comprehensive review of literature on Parkinson's disease diagnosis
Optimizing fetal health prediction: Ensemble modeling with fusion of feature selection and extraction techniques for cardiotocography data
iR5hmcSC: Identifying RNA 5-hydroxymethylcytosine with multiple features based on stacking learning
NAMOD_CRYST: Version for Crystallography from NAMOD Computer Program for Drawing Ball-and-stick Molecular Models
Computational model for analyzing the evolutionary patterns of the neuraminidase gene of influenza A/H1N1
Evaluation of Parameters in Nonlinear Models By the Least Squares Method
Computational design of peptide ligands to target the intermolecular interaction between viral envelope protein and pediatric receptor
Effective Fragment Potentials and Spectroscopy at Enzyme Active Sites
A state-time epidemiology model of tuberculosis: Importance of re-infection
Differential Fraction-based Kinetic Model for Simulating Hydrodesulfurization Process of Petroleum Fraction
4D-QSAR, ADMET properties, and molecular dynamics simulations for designing N-substituted urea/thioureas as human glutaminyl cyclase inhibitors
Computational insights into β-site amyloid precursor protein enzyme 1 (BACE1) inhibition by tanshinones and salvianolic acids from Salvia miltiorrhiza via molecular docking simulations
Statistical and artificial neural network-based analysis to understand complexity and heterogeneity in preeclampsia
C-PUGP: A cluster-based positive unlabeled learning method for disease gene prediction and prioritization
Molecular insights into ATP-mediated NBD dimerization in an ABC transporter
ChromWin - A Computer Program for the Determination of Enantiomerization Barriers in Dynamic Chromatography
Statistical Analysis of Genemark Performance by Cross-validation
Gene expression variability in mammalian embryonic stem cells using single cell RNA-seq data
Comprehensive functional analysis and mapping of SSR markers in the chickpea genome ( Cicer arietinum L.)
CLiBE: A Database of Computed Ligand Binding Energy for Ligand-receptor Complexes
SIP: A computational prediction of S-Adenosyl methionine (SAM) interacting proteins and their interaction sites through primary structures
Accelerating long-read overlap detection for genome assembly with a two-hash table strategy
The catalytic activity for ginkgolic acid biodegradation, homology modeling and molecular dynamic simulation of salicylic acid decarboxylase
Computer Modelling of Dynamics of Ser92X Deoxymyoglobin Mutants
A novel regularization approach for loss functions to reduce instance imbalance in biomedical image segmentation
PeSA: A software tool for peptide specificity analysis
Computational model for vitamin D deficiency using hair mineral analysis
Pharmacophore-based virtual screening for identification of potential selective inhibitors of human histone deacetylase 6
Transcriptomic profiling and biomarker discovery in pre-eclampsia: An integrated approach leveraging WGCNA and LASSO with ROC validation
Integrating subcellular location for improving machine learning models of remote homology detection in eukaryotic organisms
EnsemBic: An effective ensemble of biclustering to identify potential biomarkers of esophageal squamous cell carcinoma
GENMARK: Parallel Gene Recognition for Both DNA Strands
Differential gene expression in the insect pathogen Steinernema feltiae in response to chromium VI exposure in contaminated host cadavers
Sparse optimal scoring for multiclass cancer diagnosis and biomarker detection using microarray data
Identification of sulfonamide drugs as allosteric inhibitor of Chikungunya virus envelope glycoprotein: An in silico approach for drug repurposing
Rational design, biological and in-silico evaluation of quinoline-chalcone hybrids: A new series of antimicrobial and anticancer agents
Statistical analysis of the unique characteristics of secondary structures in proteins
T5S1607 identified as a antibacterial FtsZ inhibitor：Virtual screening combined with bioactivity evaluation for the drug discovery
The human olfactory receptor 17-40: Requisites for fitting into the binding pocket
Assessing novel analogues of nilutamide as a human androgen receptor antagonist: A detailed investigation of drug design using a bioisosteric methodology including ADMET profiling, molecular docking studies and molecular dynamics simulation
Protein Structure Prediction From Sequence
Biomarkers for ischemic stroke subtypes: A protein-protein interaction analysis
Relative importance of secondary structure and solvent accessibility to the stability of protein mutants.: A case study with amino acid properties and energetics on T4 and human lysozymes
Identical sequence patterns in the ends of exons and introns of human protein-coding genes
Structural, functional, and evolutionary analysis of late embryogenesis abundant proteins (LEA) in Triticum aestivum : A detailed molecular level biochemistry using in silico approach
A balance-evolution artificial bee colony algorithm for protein structure optimization based on a three-dimensional AB off-lattice model
Construction of the small intestine on molecular dynamics simulation and preliminary exploration of drug intestinal absorption prediction
Systems analysis of Berberis vulgaris alkaloids unveils their functional synergy and drug-like potential
QSAR study of pyrazolo[4, 3-e][1, 2, 4]triazine sulfonamides against tumor-associated human carbonic anhydrase isoforms IX and XII
MATH/CHEM/COMP 1988. Studies in Physical and Theoretical Chemistry, Vol. 63, Edited by A. Graovac. Elsevier, Amsterdam, 1989. ISBN 0-444-88009-7; 572 pp. (including index and contents)
Global expression analysis of miRNA gene cluster and family based on isomiRs from deep sequencing data
Correlation intensity index-index of ideality of correlation: A hyphenated target function for furtherance of MAO-B inhibitory activity assessment
Free Energy Computer Simulation in Solid State Chemistry
ICTC-RAAC: An improved web predictor for identifying the types of ion channel-targeted conotoxins by using reduced amino acid cluster descriptors
The Use of Enhanced Operator-machine Interfaces in Computer Aided Molecular Design
The Emergence of Complexity: Science Coming of Age Or Science Growing Old?
Shaded Space-filling Stereoscopic Representations of Molecules As Dotted Surfaces
TAP 1.0: A robust immunoinformatic tool for the prediction of tumor T-cell antigens based on AAindex properties
Prognostic predictive modeling of non-small cell lung cancer associated with cadmium-related pathogenic genes
Evaluation of conformational energy populations of alkanes
"CHOODRAW" - an interactive molecular graphics program (PC/XT/AT) to display small molecules complexed with protein fragments selected from the protein data bank
Model and simulation of Na + /K + pump phosphorylation in the presence of palytoxin
Parallel Rosenbrock Methods for Chemical Systems
Procedure for Determining Dynamically Defined Reaction Path
PCs for Chemists: Edited By J. Zupan. Elsevier, Amsterdam, 1990, ISBN 0-444-88623-0; 290pp
Chemical characterizations of neurotransmission receptors of human and plant to unfold the evolutionary relationships among them
Multi-targeted potential of Pittosporum senacia Putt.: HPLC-ESI-MS n analysis, in silico docking, DNA protection, antimicrobial, enzyme inhibition, anti-cancer and apoptotic activity
Integrating classic AI and agriculture: A novel model for predicting insecticide-likeness to enhance efficiency in insecticide development
Investigating pH-induced conformational switch in PIM-1: An integrated multi spectroscopic and MD simulation study
Principal component analysis on molecular descriptors as an alternative point of view in the search of new Hsp90 inhibitors
Identification of DEMETER-like DNA demethylase gene family in citrus and their role in drought stress-adaptive responses
Exploring mimosamycin as a Janus kinase 2 inhibitor: A combined computational and experimental investigation
DNA clustering and genome complexity
Identification of key pathways and genes responsible for aggressive behavior
Robert Rosen (1934-1998): A Snapshot of Biology's Newton
Ab Initio Quantum Mechanical and X-ray Crystallographic Studies of Gemcitabine and 2'-deoxy Cytosine
Docking techniques in pharmacology: How much promising?
A method for protein accessibility prediction based on residue types and conformational states
A model for the clustered distribution of SNPs in the human genome
Impact of GSK199 and GSK106 binding on protein arginine deiminase IV stability and flexibility: A computational approach
A new family of metrics for biopolymer contact structures
Advancing Drug-Target Interaction prediction with BERT and subsequence embedding
A novel divide-and-merge classification for high dimensional datasets
A chaotic approach to maintain the population diversity of genetic algorithm in network training
Modular molecular mechanics programs and transportable force fields - a partly implemented proposal
Ligand-based cheminformatics and free energy-inspired molecular simulations for prioritizing and optimizing G-protein coupled receptor kinase-6 (GRK6) inhibitors in multiple myeloma treatment
Computation of mutual information from Hidden Markov Models
Analyzing electrolytic conductivity data with a programmable calculator
Decoding the link between microbial secondary metabolites and colorectal cancer
UmamiPreDL: Deep learning model for umami taste prediction of peptides using BERT and CNN
The Biology of Eukaryotic Promoter Prediction - A Review
Protein kinase inhibitors' classification using K -Nearest neighbor algorithm
Self-organizing approach for meta-genomes
Combined QSAR/QSPR and molecular docking study on fluoroquinolones to reduce biological enrichment
The role of human C5a as a non-genomic target in corticosteroid therapy for management of severe COVID19
Computational analysis for the determination of deleterious nsSNPs in human MTHFD1 gene
An efficient method for the transformation of two electron integrals
Isomers of Polycyclic Conjugated Hydrocarbons with Arbitrary Ring Sizes - Part II
Simulation studies of in viva electrochemistry
Comparative analysis of amino acid composition in the active site of nirk gene encoding copper-containing nitrite reductase (CuNiR) in bacterial spp
Structural and functional annotation of PR/SET Domain (PRDM) protein family: In-silico study elaborating role of PRDM12 mutation in congenital insensitivity to pain
Comparative genomics for understanding the structure, function and sub-cellular localization of hypothetical proteins in Thermanerovibrio acidaminovorans DSM 6589 (tai)
Stable, Efficient Algorithm for Selected Eigenvalues and Eigenvectors of the General Symmetric Eigenproblem
'Genome order index' should not be used for defining compositional constraints in nucleotide sequences
Structure-based discovery of novel inhibitors of Mycobacterium tuberculosis CYP121 from Indonesian natural products
Exploring case-control genetic association tests using phase diagrams
Unintended consequences? Water molecules at biological and crystallographic protein-protein interfaces
Drug repurposing for hyperlipidemia associated disorders: An integrative network biology and machine learning approach
Modelling and molecular docking studies of the cytoplasmic domain of Wsc-family, full-length Ras2p, and therapeutic antifungal compounds
SYMMETRY: A Computer Program for the Analysis of the Distortions of the MX 6 (O h ) and MX a (T d ) Complexes in Crystalline Environments
PK-means: A new algorithm for gene clustering
A pipeline for proteome-scale identification and studies on hormone sensitive lipases in Mycobacterium tuberculosis
Effective sample size: Quick estimation of the effect of related samples in genetic case-control association analyses
Probabilistic model of influenza virus transmissibility at various temperature and humidity conditions
Prediction of protein mononucleotide binding sites using AlphaFold2 and machine learning
EASIEST - a program system for lectroanalytical imulation and parameter imation - I. Simulation of cyclic voltammetric and chronoamperometric experiments
Identification of potential antagonists of CRF1R for possible treatment of stress and anxiety neuro-disorders using structure-based virtual screening and molecular dynamics simulation
IONPIT: A full implementation of Pitzer's ion interaction treatment
A survey on open challenges in heart disease prediction models
A combined approach for the classification of G protein-coupled receptors and its application to detect GPCR splice variants
Protein-DNA interface hotspots prediction based on fusion features of embeddings of protein language model and handcrafted features
Quantitative methods for ecological network analysi
The Data Handbook: A Guide to Understanding the Organisation and Visualisation of Technical Data
Computational prediction for designing novel ketonic derivatives as potential inhibitors for breast cancer: A trade-off between drug likeness and inhibition potency
Retrieving definitional content for ontology development
Using Spline Functions for Obtaining Accurate Partial Molar Volumes in Binary Mixtures
Homology modeling and molecular dynamics study of GSK3/SHAGGY-like kinase
Combinative neural network and its applications
MicroRNA target prediction tools for animals: Where we are at and where we are going to - A systematic review
Toxicity of polyhalogenated dibenzo- p -furans in the light of nucleic acid bases interaction
Selecting effective siRNA sequences based on the self-organizing map and statistical techniques
Biochemical and computational insights of adenosine deaminase inhibition by Epigallocatechin gallate
The eukaryotic Pso2p/Snm1p family revisited: In Silico analyses of Pso2p A, B and Plasmodium groups
Overlap Integrals with G-orbitals
A New Redundant Variable Pruning Approach - minor Latent Variable Perturbation-PLS Used for QSAR Studies on Anti-HIV Drugs
Scaling theory for the zeros of the Mayer cluster sums for the Ising lattice-gas
Expression of the immune gene related to energy metabolism (NDRG1) in Wilms' tumor and its correlation with prognosis
Protein secondary structure prediction using neural networks and deep learning: A review
Reliable estrogen-related prognostic signature for uterine corpus endometrial carcinoma
P-stable Eighth Algebraic Order Methods for the Numerical Solution of the Schrödinger Equation
Synthesis, molecular structure, spectroscopic, electronic properties, molecular docking, and molecular dynamics studies on novel 1,2,3-triazole-thiosemicarbazone: A potent breast cancer drug
Efficient machine learning model for predicting drug-target interactions with case study for Covid-19
Weighted edge based clustering to identify protein complexes in protein-protein interaction networks incorporating gene expression profile
Computational investigation of a ternary model of SnoN-SMAD3-SMAD4 complex
Coexistence of Multiple Codes in Messenger RNA Molecules
An algorithm for the Reich-Stivala analysis of TGA curves
Identification of leucine-rich repeat receptor-like protein kinase ( LRR-RLK ) genes in paper mulberry and their potential roles in response to cold stress
Erratum to "Folding degrees of azurins and pseudoazurins. Implications for structure and function" [Computational Biology and Chemistry 29 (2005) 345-353]