Molecular docking with Gaussian Boson Sampling

Experimental Gaussian Boson sampling

(2019) Han-Sen Zhong et al.   Science Bulletin

A Quantum-Inspired Method for Three-Dimensional Ligand-Based Virtual Screening

(2019) Maritza Hernandez et al.   Journal of Chemical Information and Modeling

Scalable Squeezed-Light Source for Continuous-Variable Quantum Sampling

(2019) Z. Vernon et al.   Physical Review Applied

Using Gaussian Boson Sampling to Find Dense Subgraphs

(2018) Juan Miguel Arrazola et al.   PHYSICAL REVIEW LETTERS

Simulating the vibrational quantum dynamics of molecules using photonics

(2018) Chris Sparrow et al.   NATURE

Approximating vibronic spectroscopy with imperfect quantum optics

(2018) William R Clements et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Classical boson sampling algorithms with superior performance to near-term experiments

(2017) Alex Neville et al.   Nature Physics

Gaussian Boson Sampling

(2017) Craig S. Hamilton et al.   PHYSICAL REVIEW LETTERS

Enhancing quantum annealing performance for the molecular similarity problem

(2017) Maritza Hernandez et al.   Quantum Information Processing

Upper bounds on the number of perfect matchings and directed 2-factors in graphs with given number of vertices and edges

(2015) M. Aaghabali et al.   EUROPEAN JOURNAL OF COMBINATORICS

A review on algorithms for maximum clique problems

(2015) Qinghua Wu et al.   EUROPEAN JOURNAL OF OPERATIONAL RESEARCH

Boson sampling for molecular vibronic spectra

(2015) Joonsuk Huh et al.   Nature Photonics

Quantum Fidelity for Arbitrary Gaussian States

(2015) Leonardo Banchi et al.   PHYSICAL REVIEW LETTERS

Experimental scattershot boson sampling

(2015) M. Bentivegna et al.   Science Advances

PDB-wide collection of binding data: current status of the PDBbind database

(2014) Zhihai Liu et al.   BIOINFORMATICS

Boson Sampling from a Gaussian State

(2014) A. P. Lund et al.   PHYSICAL REVIEW LETTERS

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

(2012) Xuan-Yu Meng et al.   Current Computer-Aided Drug Design

Gaussian quantum information

(2012) Christian Weedbrook et al.   REVIEWS OF MODERN PHYSICS

Some properties of the Narumi–Katayama index

(2011) Ivan Gutman et al.   APPLIED MATHEMATICS LETTERS

Structure-based drug design to augment hit discovery

(2011) Subha Kalyaanamoorthy et al.   DRUG DISCOVERY TODAY

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

(2009) Oleg Trott et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Molecular Docking Algorithms

(2008) Raquel Dias et al.   CURRENT DRUG TARGETS

Drug Insight: tumor necrosis factor-converting enzyme as a pharmaceutical target for rheumatoid arthritis

(2008) Marcia L Moss et al.   Nature clinical practice. Rheumatology