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Molecular docking with Gaussian Boson Sampling
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Critical evaluation of search algorithms for automated molecular docking and database screening
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AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
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A combinatorial algorithm for calculating ligand binding
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Molecular docking using shape descriptors
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Combining docking and molecular dynamic simulations in drug design
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Principles of docking: An overview of search algorithms and a guide to scoring functions
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General and targeted statistical potentials for protein–ligand interactions
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Integrating statistical pair potentials into protein complex prediction
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A Fast Flexible Docking Method using an Incremental Construction Algorithm
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Knowledge-based scoring function to predict protein-ligand interactions
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Reducibility among Combinatorial Problems
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FLOG: A system to select ?quasi-flexible? ligands complementary to a receptor of known three-dimensional structure
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On quantum field theory — I: explicit solution of Dyson’s equation in electrodynamics without use of feynman graphs
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Phased local search for the maximum clique problem
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Enhancing quantum annealing performance for the molecular similarity problem
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A geometric approach to macromolecule-ligand interactions
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Some properties of the Narumi–Katayama index
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Novel thiol-based TACE inhibitors: Rational design, synthesis, and SAR of thiol-containing aryl sulfonamides
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Pharmacophore modeling and applications in drug discovery: challenges and recent advances
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Structure-based drug design to augment hit discovery
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Upper bounds on the number of perfect matchings and directed 2-factors in graphs with given number of vertices and edges
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A review on algorithms for maximum clique problems
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Knowledge-based potentials in protein design
inferredcites →https://doi.org/10.1016/j.scib.2019.04.007openalex-snapshot
Experimental Gaussian Boson sampling
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Statistical potentials and scoring functions applied to protein–ligand binding
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A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening
inferredcites →https://doi.org/10.1021/ci034289qopenalex-snapshot
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
inferredcites →https://doi.org/10.1021/jm00161a004openalex-snapshot
Docking flexible ligands to macromolecular receptors by molecular shape
inferredcites →https://doi.org/10.1021/jm030580lopenalex-snapshot
The PDBbind Database: Collection of Binding Affinities for Protein−Ligand Complexes with Known Three-Dimensional Structures
inferredcites →https://doi.org/10.1021/jm048957qopenalex-snapshot
The PDBbind Database: Methodologies and Updates
inferredcites →https://doi.org/10.1021/jm050362nopenalex-snapshot
A Critical Assessment of Docking Programs and Scoring Functions
inferredcites →https://doi.org/10.1021/jm9806143openalex-snapshot
SQ: A Program for Rapidly Producing Pharmacophorically Relevent Molecular Superpositions
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Predicting binding modes, binding affinities and `hot spots' for protein-ligand complexes using a knowledge-based scoring function
inferredcites →https://doi.org/10.1023/a:1016399411208openalex-snapshot
Flexible docking under pharmacophore type constraints
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
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Drug Insight: tumor necrosis factor-converting enzyme as a pharmaceutical target for rheumatoid arthritis
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Boson sampling for molecular vibronic spectra
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Classical boson sampling algorithms with superior performance to near-term experiments
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Docking and scoring in virtual screening for drug discovery: methods and applications
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Simulating the vibrational quantum dynamics of molecules using photonics
inferredcites →https://doi.org/10.1088/1361-6455/aaf031openalex-snapshot
Approximating vibronic spectroscopy with imperfect quantum optics
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PDB-wide collection of binding data: current status of the PDBbind database
inferredcites →https://doi.org/10.1093/protein/4.2.177openalex-snapshot
Distance-constrained molecular docking by simulated annealing
inferredcites →https://doi.org/10.1093/protein/6.7.723openalex-snapshot
Matching chemistry and shape in molecular docking
inferredcites →https://doi.org/10.1103/physreva.98.012322openalex-snapshot
Quantum approximate optimization with Gaussian boson sampling
inferredcites →https://doi.org/10.1103/physreva.98.032310openalex-snapshot
Gaussian boson sampling for perfect matchings of arbitrary graphs
inferredcites →https://doi.org/10.1103/physreva.98.062322openalex-snapshot
Gaussian boson sampling using threshold detectors
inferredcites →https://doi.org/10.1103/physrevapplied.12.064024openalex-snapshot
Scalable Squeezed-Light Source for Continuous-Variable Quantum Sampling
inferredcites →https://doi.org/10.1103/physrevlett.113.100502openalex-snapshot
Boson Sampling from a Gaussian State
inferredcites →https://doi.org/10.1103/physrevlett.115.260501openalex-snapshot
Quantum Fidelity for Arbitrary Gaussian States
inferredcites →https://doi.org/10.1103/physrevlett.119.170501openalex-snapshot
Gaussian Boson Sampling
inferredcites →https://doi.org/10.1103/physrevlett.121.030503openalex-snapshot
Using Gaussian Boson Sampling to Find Dense Subgraphs
inferredcites →https://doi.org/10.1103/physrevlett.54.735openalex-snapshot
Undecidability and intractability in theoretical physics
inferredcites →https://doi.org/10.1103/physrevlett.88.097904openalex-snapshot
Efficient Classical Simulation of Continuous Variable Quantum Information Processes
inferredcites →https://doi.org/10.1103/revmodphys.84.621openalex-snapshot
Gaussian quantum information
inferredcites →https://doi.org/10.1126/sciadv.1400255openalex-snapshot
Experimental scattershot boson sampling
inferredcites →https://doi.org/10.1145/1993636.1993682openalex-snapshot
The computational complexity of linear optics
inferredcites →https://doi.org/10.1145/3325111openalex-snapshot
A Faster Hafnian Formula for Complex Matrices and Its Benchmarking on a Supercomputer
inferredcites →https://doi.org/10.1613/jair.1815openalex-snapshot
Dynamic Local Search for the Maximum Clique Problem
inferredcites →https://doi.org/10.2174/138945008786949432openalex-snapshot
Molecular Docking Algorithms
inferredcites →https://doi.org/10.2174/157340911795677602openalex-snapshot
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
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Adaptive Bias Fields Quantum Approximate Optimization Algorithm for Molecular Docking
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Revolutionizing Healthcare with Quantum Computing: Bridging Innovation and Practical Challenges
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Employing Integrated Quantum Photonic Computers for Gaussian Boson Sampling
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Bosehedral: Compiler Optimization for Bosonic Quantum Computing
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Implementation of Grover’s Algorithm to Solve the Maximum Clique Problem
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Photonic Quantum Computers Enlighten the World: A review of their development, types, and applications
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Recent Advances in Quantum Computing for Drug Discovery and Development
inferred← citeshttps://doi.org/10.1109/nextcomp70574.2026.11707993openalex-snapshot
Protein-Ligand Binding Energy Calculation Using Quantum Approximate Optimization Technique
inferred← citeshttps://doi.org/10.1109/qccl70331.2026.11668570openalex-snapshot
A Scalable Heuristic for Molecular Docking on Neutral-Atom Quantum Processors
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Gaussian Boson Sampling to Accelerate NP-Complete Vertex-Minor Graph Classification
inferred← citeshttps://doi.org/10.1109/qce60285.2024.00066openalex-snapshot
An Experimental Approach to Quantum Molecular Docking
inferred← citeshttps://doi.org/10.1109/qce60285.2024.00113openalex-snapshot
Extending the Q-Score to an Application-Level Quantum Metric Framework
inferred← citeshttps://doi.org/10.1109/qce60285.2024.00182openalex-snapshot
Benchmarking Optimizers for Qumode State Preparation with Variational Quantum Algorithms
inferred← citeshttps://doi.org/10.1109/qce65121.2025.00162openalex-snapshot
Gauging Practical Computational Advantage Using a Classical, Threshold-Based Gaussian Boson Sampler
inferred← citeshttps://doi.org/10.1109/tpds.2021.3111185openalex-snapshot
Benchmarking 50-Photon Gaussian Boson Sampling on the Sunway TaihuLight
inferred← citeshttps://doi.org/10.1116/5.0135915openalex-snapshot
Single-photon splitting by polymeric submicropillars structures
inferred← citeshttps://doi.org/10.1126/sciadv.aba9186openalex-snapshot
Broadband quadrature-squeezed vacuum and nonclassical photon number correlations from a nanophotonic device
inferred← citeshttps://doi.org/10.1364/oe.550032openalex-snapshot
Quantum photonic gates with two-dimensional random walkers
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Nanowire‐based integrated photonics for quantum information and quantum sensing
inferred← citeshttps://doi.org/10.2174/1570180818666210804130050openalex-snapshot
Synthesized Drug from Medicinal Plant phytochemicals Effectively Targets ECM1 Gene Mutations in Ulcerative Colitis
inferred← citeshttps://doi.org/10.2184/lsj.48.9_481openalex-snapshot
Boson Sampling and Linear Optical Circuits
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The Complexity of Bipartite Gaussian Boson Sampling
inferred← citeshttps://doi.org/10.22331/q-2023-02-21-931openalex-snapshot
Perceval: A Software Platform for Discrete Variable Photonic Quantum Computing
inferred← citeshttps://doi.org/10.22331/q-2023-08-01-1071openalex-snapshot
20-Mode Universal Quantum Photonic Processor
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A Quadratic Speedup in the Optimization of Noisy Quantum Optical Circuits
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SPOCK2, a novel potential target for cereal intake in knee osteoarthritis
inferred← citeshttps://doi.org/10.3390/e24030354openalex-snapshot
Solving Generalized Polyomino Puzzles Using the Ising Model
inferred← citeshttps://doi.org/10.3390/e25020210openalex-snapshot
Classical Modelling of a Bosonic Sampler with Photon Collisions
inferred← citeshttps://doi.org/10.3390/e26050397openalex-snapshot
QUBO Problem Formulation of Fragment-Based Protein–Ligand Flexible Docking
inferred← citeshttps://doi.org/10.3390/fi15030094openalex-snapshot
Quantum Computing for Healthcare: A Review
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Quantum Computing and Machine Learning on an Integrated Photonics Platform
inferred← citeshttps://doi.org/10.3390/molecules27227896openalex-snapshot
Fast Screening of Protein Tyrosine Phosphatase 1B Inhibitor from Salvia miltiorrhiza Bge by Cell Display-Based Ligand Fishing
inferred← citeshttps://doi.org/10.3390/ph15010063openalex-snapshot
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
inferred← citeshttps://doi.org/10.3390/quantum7040056openalex-snapshot
Applications of Gaussian Boson Sampling to Solve Some Chemistry Problems
inferred← citeshttps://doi.org/10.3390/technologies13100438openalex-snapshot
Transfer Entropy and O-Information to Detect Grokking in Tensor Network Multi-Class Classification Problems
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Intelligent Computing: The Latest Advances, Challenges, and Future
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GBS-Assisted Quantum Unsupervised Machine Learning on a Universal Programmable Integrated Quantum Chip
inferred← citeshttps://doi.org/10.3889/oamjms.2022.10457openalex-snapshot
New Cholesteryl Ester Transfer Protein from Indonesian Herbal Plants as Candidate Treatment of Cardiovascular Disease
inferred← citeshttps://doi.org/10.4018/979-8-3373-3857-6.ch013openalex-snapshot
Transforming Healthcare Through Quantum Computing Innovations
inferred← citeshttps://doi.org/10.70675/2348d9cbzed27z491ez81ddzaec4ae035576openalex-snapshot
Manipulation of solid-state single-photon emitters by deterministic coupling into polymer-based photonic structures
inferred← citeshttps://doi.org/10.70675/4b413b60z53e5z41bdzb56ezd58ede1ef04dopenalex-snapshot
Accelerating optimisation algorithms via optical propagation in complex media
inferred← citeshttps://doi.org/10.70675/f919b1fbz1e24z4600zaa92z57d940af9252openalex-snapshot
Noise, Dynamics and Squeezed Light in Quantum Dot and Interband Cascade Lasers
inferred← citeshttps://doi.org/10.7498/aps.70.20211428openalex-snapshot
Review on quantum advantages of sampling problems
inferred← citeshttps://doi.org/10.7498/aps.71.20220635openalex-snapshot
Research advances in continuous-variable quantum computation and quantum error correction
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Investigation of Gaussian boson sampling under phase noise of the light source
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