yusuke1997/dblp-id-title huggingface dataset:
Global output feedback stabilisation of nonlinear systems with a unifying linear controller structure
Controllability of second-order multi-agent systems with impulse-effected switching topologies
Numerical boundary feedback stabilisation of non-uniform hyperbolic systems of balance laws
Guaranteed cost control of discrete-time saturated switched systems based on anti-windup approach
Quantised near-consensus via quantised communication links
Tuning of multivariable model predictive controllers through expert bandit feedback
Frisch scheme identification for dynamic diagonal bilinear models
Controlling consensus in networks with symmetries
The controllability and structural controllability of Laplacian dynamics
Decentralised control of continuous Petri nets
An algorithm for the selection of linearisation points in non-linear systems: a diesel air-path case study
Design of an optimal preview controller for linear discrete-time causal descriptor systems
Robust output tracking control of a class of non-minimum phase systems and application to VTOL aircraft
On sufficient conditions to keep differential flatness under the addition of new inputs
A dynamic multi-axis control allocation scheme for real-time applications
Controllability decomposition of dynamic-algebraic Boolean control networks
Bohl exponent for time-varying linear differential-algebraic equations
Parameter identification of aggregated thermostatically controlled loads for smart grids using PDE techniques
Event-triggered H∞ control for discrete-time piecewise affine systems with norm-bounded uncertainties
Distributed fixed-time consensus-based formation tracking for multiple nonholonomic wheeled mobile robots under directed topology
The dynamic behaviour of data-driven Δ-M and ΔΣ-M in sliding mode control
Undiscounted control policy generation for continuous-valued optimal control by approximate dynamic programming
Traffic modelling framework for electric vehicles
Proximal schemes for parabolic optimal control problems with sparsity promoting cost functionals
What is a limit cycle?
Exponential stability for nonlinear time-varying systems on time scales
Distributed control design for leader escort of multi-agent systems
Growth conditions for exponential stability of time-varying perturbed systems
Simultaneous interconnection and damping assignment passivity-based control: the induction machine case study
Robust adaptive fixed-time control for a class of nonlinear systems with actuator faults
A centre-free approach for resource allocation with lower bounds
SOS-based policy iteration for H ∞ control of polynomial systems with uncertain parameters
H 2 / H ∞ control for stochastic systems with delay
Robust cooperative output tracking of networked high-order power integrators systems
Allocating resources via price management systems: a dynamic programming-based approach
Adaptive suboptimal second-order sliding mode control for microgrids
On finite-time and fixed-time consensus algorithms for dynamic networks switching among disconnected digraphs
Cooperative optimal preview tracking control of continuous-time multi-agent systems
Fixed-time trajectory tracking control for unmanned surface vessels in the presence of model uncertainties and external disturbances
Controller design for finite-time attractive and energy consumption of stochastic nonlinear systems
Finite time stability of time-varying stochastic nonlinear systems with random impulses
Input-output data based tracking control under DoS attacks
Adaptive state-feedback stabilization for high-order stochastic non-linear systems with uncertain control coefficients
Improvement on 'structure of weakly 2-dependent siphons'
Novel delay-dependent Kalman/Luenberger-type filter design for neutral systems
Convergence analysis of directed signed networks via an M-matrix approach
Designing of robust adaptive passivity-based controller based on reinforcement learning for nonlinear port-Hamiltonian model with disturbance
A novel robust disturbance rejection anti-windup framework
An EM-based identification algorithm for a class of hybrid systems with application to power electronics
Finite-time stability of linear time-varying singular systems with impulsive effects
Min-max adaptive dynamic programming for zero-sum differential games
Robustness analysis of non-ordinary Petri nets for flexible assembly systems
Anti-disturbance sliding mode control for uncertain nonlinear systems
Output feedback control of slender body underwater vehicles with current estimation
Global state feedback stabilisation of nonlinear systems with high-order and low-order nonlinearities
Resilient group consensus in the presence of Byzantine agents
Pollution's ambient problems and regularity of optimal cost function
Constrained regional control problem of a bilinear plate equation
Modelling of an electro-hydraulic variable valve actuator for camless engines aimed at controlling valve lift parameters
Convex aggregative modelling of infinite memory nonlinear systems
A differential pursuit/evasion game of capture between an omnidirectional agent and a differential drive robot, and their winning roles
Autonomous mobile robot proprioceptive navigation and predictive trajectory tracking
Constrained optimal consensus in multi-agent systems with single- and double-integrator dynamics
Low level formation controls for a group of quadrotors with model uncertainties
Global asymptotic stability analysis of discrete-time stochastic coupled systems with time-varying delay
Saturations-based nonlinear controllers with integral term: validation in real-time
Stability analysis based on partition trajectory approach for switched neural networks with fractional Brown noise disturbance
Design of reduced-order observers for nonlinear sampled-data strict-feedback systems with actuator dynamics and disturbances
A ball and beam tracking and balance control using magnetic suspension actuators
Trajectory-based design of robust non-fragile controllers for a class of uncertain linear continuous-time systems
Spectral analysis for a degenerate tree and applications
Design of a chatter-free terminal sliding mode controller for nonlinear fractional-order dynamical systems
Leader-follower cooperative swinging by UAVs without interagent communication
Energy-based control of a distributed parameter bi-zone model with moving interface
Novel distributed robust adaptive consensus protocols for linear multi-agent systems with directed graphs and external disturbances
Terminal spacecraft rendezvous and capture with LASSO model predictive control
Stabilisation of perturbed chains of integrators using Lyapunov-based homogeneous controllers
Stability and stabilisation of linear multidimensional discrete systems in the frequency domain
State estimation of two-time-scale Markov jump complex networks subject to general probabilities information and sensor nonlinearities
Upper solution bound of the CCARE and its application in multi-agent systems with time-delay in the state
Response to comment on 'Persistent inputs and the standard H 2 multivariable control problem' by K. Park and J.J. Bongiorno Jr
A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2
AtlasCBS: a web server to map and explore chemico-biological space
Tautomerism in large databases
Extending the trend vector: The trend matrix and sample-based partial least squares
2-Pyridone and 3-oxo-1, 2, 6-thiadiazine-1, 1-dioxide derivatives: a new class of hydrogen bond equivalents of uracil
Prediction of plasma protein binding of drugs using Kier-Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses
The matching of electrostatic extrema: A useful method in drug design? A study of phosphodiesterase III inhibitors
Partition coefficients for the SAMPL5 challenge using transfer free energies
Virtual screening of the SAMPL4 blinded HIV integrase inhibitors dataset
Some thoughts on the "A" in computer-aided molecular design
Docking rigid macrocycles using Convex-PL, AutoDock Vina, and RDKit in the D3R Grand Challenge 4
The veil of commercialism
Analysis of stacking overlap in nucleic acid structures: algorithm and application
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics
Conformational properties of pyrethroids
The comparison of geometric and electronic properties of molecular surfaces by neural networks: Application to the analysis of corticosteroid-binding globulin activity of steroids
Techniques for the calculation of three-dimensional structural similarity using inter-atomic distances
Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Predicting nucleic acid torsion angle values using artificial neural networks
LogP prediction performance with the SMD solvation model and the M06 density functional family for SAMPL6 blind prediction challenge molecules
3D-QSAR and molecular modeling of HIV-1 integrase inhibitors
Virtual Computational Chemistry Laboratory - Design and Description
Computational methods and tools for binding site recognition between proteins and small molecules: from classical geometrical approaches to modern machine learning strategies
Testing automatic methods to predict free binding energy of host-guest complexes in SAMPL7 challenge
Evaluation of descriptors and classification schemes to predict cytochrome substrates in terms of chemical information
Protein-ligand interfaces are polarized: discovery of a strong trend for intermolecular hydrogen bonds to favor donors on the protein side with implications for predicting and designing ligand complexes
The DINGO dataset: a comprehensive set of data for the SAMPL challenge
Protocol for iterative optimization of modified peptides bound to protein targets
Free enthalpies of replacing water molecules in protein binding pockets
Solution conformation by NMR and molecular modeling of three sulfide-free somatostatin octapeptide analogs compared to angiopeptin
A cross docking pipeline for improving pose prediction and virtual screening performance
Structure-based pose prediction: Non-cognate docking extended to macrocyclic ligands
Evaluation of machine-learning methods for ligand-based virtual screening
Molden: a pre- and post-processing program for molecular and electronic structures
Enhancement by pyrazolones of colistin efficacy against mcr-1-expressing E. coli: an in silico and in vitro investigation
Fast 3D molecular superposition and similarity search in databases of flexible molecules
Using a homology model of cytochrome P450 2D6 to predict substrate site of metabolism
The influence of hydrogen bonding on partition coefficients
Improved estimation of ligand-macromolecule binding affinities by linear response approach using a combination of multi-mode MD simulation and QM/MM methods
A new fingerprint to predict nonribosomal peptides activity
Thermodynamic conformational analysis and structural stability of the nicotinic analgesic ABT-594
Interconversion of the (+)-O-desmethyltramadol to the lowest-energy conformer when coupled to µ-opioid receptor: comprehensive analysis using in silico molecular modeling
Blind prediction of HIV integrase binding from the SAMPL4 challenge
Caco-2 cell permeability modelling: a neural network coupled genetic algorithm approach
A correlation study of quinoline derivatives and their pharmaceutical behavior by ab initio calculated NQR parameters
Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120
A sequence and structural study of transmembrane helices
Artificial intelligence in chemistry and drug design
Prodrugs of aza nucleosides based on proton transfer reaction
Structure based classification for bile salt export pump (BSEP) inhibitors using comparative structural modeling of human BSEP
Extended solvent-contact model approach to SAMPL4 blind prediction challenge for hydration free energies
Computational study of elements of stability of a four-helix bundle protein biosurfactant
Major versus minor groove DNA binding of a bisarginylporphyrin hybrid molecule: A molecular mechanics investigation
Predicting targets of compounds against neurological diseases using cheminformatic methodology
HTMoL: full-stack solution for remote access, visualization, and analysis of molecular dynamics trajectory data
Blind prediction test of free energies of hydration with COSMO-RS
Lessons learned from participating in D3R 2016 Grand Challenge 2: compounds targeting the farnesoid X receptor
Molecular dynamics simulation as a complement to diffraction in the study of disorder in crystals
Molecular dynamics simulation of the renin inhibitor H142 in water
Identification of ligands that target the HCV-E2 binding site on CD81
CoBdock-2: enhancing blind docking performance through hybrid feature selection combining ensemble and multimodel feature selection approaches
New alkyl triphenylphosphonium dipterocarpol derivatives with cytotoxicity against the MCF-7 breast cancer cell line
Identification of novel inhibitors of human Chk1 using pharmacophore-based virtual screening and their evaluation as potential anti-cancer agents
Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
Structure-based drug design of small-molecule c-Myc G-quadruplex binders
Prediction and analysis of structure, stability and unfolding of thermolysin-like proteases
Computer-aided drug design: A free energy perturbation study on the binding of methyl-substituted pterins and N5-deazapterins to dihydrofolate reductase
The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models
Structure-guided discovery of microtubule affinity-regulating kinase 4 inhibitory potential of Harmane: towards therapeutic targeting of Alzheimer's disease
Prediction of blood-brain partitioning using Monte Carlo simulations of molecules in water
Conformational ensemble comparison for small molecules in drug discovery
Prediction of the n-octanol/water partition coefficients in the SAMPL6 blind challenge from MST continuum solvation calculations
Ligand and structure-based methodologies for the prediction of the activity of G protein-coupled receptor ligands
Effects of protein conformation in docking: improved pose prediction through protein pocket adaptation
Diversifying chemical libraries with generative topographic mapping
Molden 2.0: quantum chemistry meets proteins
Evaluation of DOCK 6 as a pose generation and database enrichment tool
Homology modeling, force field design, and free energy simulation studies to optimize the activities of histone deacetylase inhibitors
Internally defined distances in 3D-quantitative structure-activity relationships
Key issues in the computational simulation of GPCR function: representation of loop domains
An approximation of the Cioslowski-Mixon bond order indexes using the AlteQ approach
A prediction of the three-dimensional structure of maize NADP + -dependent malate dehydrogenase which explains aspects of light-dependent regulation unique to plant enzymes
A genetic algorithm for the automated generation of molecules within constraints
Comparison study of dominant molecular sequence representation based on diffusion model
Activity cliffs in PubChem confirmatory bioassays taking inactive compounds into account
A deep neural network: mechanistic hybrid model to predict pharmacokinetics in rat
Molecular dynamics simulation of the human adenosine A 3 receptor: agonist induced conformational changes of Trp243
Studies of chirality effect of 4-(phenylamino)-pyrrolo[2, 1-f][1, 2, 4]triazine on p38alpha by molecular dynamics simulations and free energy calculations
Molecular modeling of the intestinal bile acid carrier: A comparative molecular field analysis study
Charge-transfer interactions in the inhibition of MAO-A by phenylisopropylamines - a QSAR study
OPTUNA optimization for predicting chemical respiratory toxicity using ML models
An SH2 domain model of STAT5 in complex with phospho-peptides define "STAT5 Binding Signatures"
Protein structure prediction by tempering spatial constraints
Similarity screening of molecular data sets
JCAMD special series: statistics and molecular modeling
Comparative QSAR studies on PAMPA/modified PAMPA for high throughput profiling of drug absorption potential with respect to Caco-2 cells and human intestinal absorption
Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation
A theoretical study of angiotensin-converting enzyme inhibitors
Prediction of tautomer ratios by embedded-cluster integral equation theory
An evaluation of molecular models of the cytochrome P450 Streptomyces griseolus enzymes P450SU1 and P450SU2
Using a pharmacophore representation concept to elucidate molecular similarity of dopamine antagonists
A new scaling procedure to correct semiempirical MEP and MEP-derived properties
A novel workflow for the inverse QSPR problem using multiobjective optimization
Brownian dynamics simulation of protein association
Structure based design of selective SHP2 inhibitors by De novo design, synthesis and biological evaluation
MetAP DB and Metal-FP: a database and fingerprint framework for advancing metal-based drug discovery
Improving molecular docking through eHiTS' tunable scoring function
COSMO-RS based predictions for the SAMPL6 logP challenge
The atom assignment problem in automated de novo drug design. 1. Transferability of molecular fragment properties
A multivariate insight into the in vitro antitumour screen database of the National Cancer Institute: classification of compounds, similarities among cell lines and the influence of molecular targets
Carboxylator: incorporating solvent-accessible surface area for identifying protein carboxylation sites
Ab initio calculations on peptide-derived oxazoles and thiazoles: Improved molecular mechanics parameters for the AMBER* force field
Balancing focused combinatorial libraries based on multiple GPCR ligands
Reshaping globular dynamics of S. aureus pyruvate kinase via bond restraints to allosteric sites
FTree query construction for virtual screening: a statistical analysis
Stereochemistry of ulapualides, a new family of tris-oxazole-containing macrolide ionophores from marine nudibranchs. A molecular mechanics study
ANLIZE: A molecular mechanics force field visualization tool and its application to 18-crown-6
Quantitative structure-activity relationships and comparative molecular field analysis of TIBO derivatised HIV-1 reverse transcriptase inhibitors
Investigation of the binding mode of a novel cruzain inhibitor by docking, molecular dynamics, ab initio and MM/PBSA calculations
Molecular dynamics simulations of pro-apoptotic BH3 peptide helices in aqueous medium: relationship between helix stability and their binding affinities to the anti-apoptotic protein Bcl-X L
How computational chemistry develops: a tribute to Peter Goodford
Can we use docking and scoring for hit-to-lead optimization?
In silico models for the prediction of dose-dependent human hepatotoxicity
Design of stapled DNA-minor-groove-binding molecules with a mutable atom simulated annealing method
Are predefined decoy sets of ligand poses able to quantify scoring function accuracy?
A new paradigm for pattern recognition of drugs
Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC
Crystallographic studies and semi-empirical MNDO calculations on quisqualic acid and its analogues: Systems containing unusual pyramidal heterocyclic ring nitrogens
Structural mechanism of Fab domain dissociation as a measure of interface stability
The discovery of indicator variables for QSAR using inductive logic programming
Design criteria for molecular mimics of fragments of the beta-turn. 2. C-alpha-C-beta bond vector analysis
www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices - the Py-CoMFA web application as tool to build models from pre-aligned datasets
Genetic algorithms and self-organizing maps: a powerful combination for modeling complex QSAR and QSPR problems
The state of the guanosine nucleotide allosterically affects the interfaces of tubulin in protofilament
The structural and electronical factors that contribute affinity for the time-dependent inhibition of PGHS-1 by indomethacin, diclofenac and fenamates
Database diversity assessment: New ideas, concepts, and tools
Mutation-mediated influences on binding of anaplastic lymphoma kinase to crizotinib decoded by multiple replica Gaussian accelerated molecular dynamics
Second-generation de novo design: a view from a medicinal chemist perspective
Hierarchical QSAR technology based on the Simplex representation of molecular structure
Cardio-vascular safety beyond hERG: in silico modelling of a guinea pig right atrium assay
Development of 7TM receptor-ligand complex models using ligand-biased, semi-empirical helix-bundle repacking in torsion space: application to the agonist interaction of the human dopamine D2 receptor
Public access to X-ray diffraction data
3D-QSAR studies and molecular docking on [5-(4-amino-1 H -benzoimidazol-2-yl)-furan-2-yl]-phosphonic acid derivatives as fructose-1, 6-biphophatase inhibitors
Computer modelling: Future directions
Perspectives in QSAR: Computer chemistry and pattern recognition
Mechanisms of amphipathic helical peptide denaturation by guanidinium chloride and urea: a molecular dynamics simulation study
Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK
Mechanistic insights into PROTAC-mediated degradation through an integrated framework of molecular dynamics, free energy landscapes, and quantum mechanics: A case study on kinase degraders
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors
The de novo design of median molecules within a property range of interest
Close intramolecular sulfur-oxygen contacts: modified force field parameters for improved conformation generation
Calibrative approaches to protein solubility modeling of a mutant series using physicochemical descriptors
Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening
Docking simulations suggest that all-trans retinoic acid could bind to retinoid X receptors
Comparison of azacyclic urea A-98881 as HIV-1 protease inhibitor with cage dimeric N-benzyl 4-(4-methoxyphenyl)-1, 4- dihydropyridine as representative of a novel class of HIV-1 protease inhibitors: A molecular modeling study
Objective models for steroid binding sites of human globulins
Antioxidant properties of phenolic Schiff bases: structure-activity relationship and mechanism of action
Molecular modelling studies of substrate binding to the lipase from Rhizomucor miehei
Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation
Coupling constants agian: Experimental restraints in structure refinement
Sialyldisaccharide conformations: a molecular dynamics perspective
Modeling the interactions of a peptide-major histocompatibility class I ligand with its receptors. II. Cross-reaction between a monoclonal antibody and two alpha-beta T cell receptors
Scientific and technical data sharing: a trading perspective
A recursive-partitioning model for blood-brain barrier permeation
Testing and validation of the Automated Topology Builder (ATB) version 2.0: prediction of hydration free enthalpies
Peptide mimetics as enzyme inhibitors: Use of free energy perturbation calculations to evaluate isosteric replacement for amide bonds in a potent HIV protease inhibitor
Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2)
Ultrasonication-assisted green synthesis, in silico EGFR-binding analysis, and cytotoxic evaluation of nitro-perimidines for non-small cell lung cancer
Statistical analyses and computational prediction of helical kinks in membrane proteins
The SAMPL3 blind prediction challenge: transfer energy overview