Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening

QR Code

Chaos-embedded particle swarm optimization approach for protein-ligand docking and virtual screening

Background: Protein-ligand docking programs are routinely used in structure-based drug design to find the optimal binding pose of a ligand in the protein's active site. These programs are also used to identify potential drug candidates by ranking large sets of compounds. As more accurate and ef...

Full description

Bibliographic Details
Published in:	Journal of Cheminformatics
Main Author:	Tai H.K.; Jusoh S.A.; Siu S.W.I.
Format:	Article
Language:	English
Published:	BioMed Central Ltd. 2018
Online Access:	https://www.scopus.com/inward/record.uri?eid=2-s2.0-85058562753&doi=10.1186%2fs13321-018-0320-9&partnerID=40&md5=27a22457ddb4c7df756f3c9bad0090df

Similar Items

Composition of overlapping protein-protein and protein-ligand interfaces
by: Mohamed R.; Degac J.; Helms V.
Published: (2015)

Chaos embedded symbiotic organisms search technique for optimal FACTS device allocation for voltage profile and security improvement
by: Mohamad Zamani M.K.; Musirin I.; Suliman S.I.; Bouktir T.
Published: (2017)

Contribution of charged and polar residues for the formation of the E1-E2 heterodimer from Hepatitis C virus
by: Jusoh S.A.; Welsch C.; Siu S.W.I.; Böckmann R.A.; Helms V.
Published: (2010)

An overview of particle swarm optimization variants
by: Imran M.; Hashim R.; Khalid N.E.A.
Published: (2013)

Knowledge-Based Methods to Train and Optimize Virtual Screening Ensembles
by: Swift R.V.; Jusoh S.A.; Offutt T.L.; Li E.S.; Amaro R.E.
Published: (2016)

Chaos and regularities in cavity assisted two-channel nonlinear coupler
by: Chogle F.; Varghese S.S.; Ibrahim A.-B.M.A.; Prasad A.; Eleuch H.
Published: (2024)

Chaos and regularities in cavity assisted two-channel nonlinear coupler
by: Chogle, et al.
Published: (2024)

Laplace Mutated Particle Swarm Optimization (LMPSO)
by: Imran M.; Hashim R.; Khalid N.E.A.
Published: (2014)

Optimization of Discrete Wavelet Transform Feature Representation and Hierarchical Classification of G-Protein Coupled Receptor Using Firefly Algorithm and Particle Swarm Optimization
by: Kamal N.A.M.; Bakar A.A.; Zainudin S.
Published: (2022)

Embedded Real-Swarm Evolutionary Programming Technique for Intelligent Load Curtailment Strategy
by: Aziz, et al.
Published: (2024)

A Systematic Review on Particle Swarm Optimization Towards Target Search in The Swarm Robotics Domain
by: Hamami M.G.M.; Ismail Z.H.
Published: (2022)

Effect of swarm size parameter on Binary Particle Swarm optimization-based NARX structure selection
by: Yassin I.M.; Taib M.N.; Adnan R.; Salleh M.K.M.; Hamzah M.K.
Published: (2012)

Particle swarm optimization and least squares estimaton of NARMAX
by: Abdullah S.M.; Yassin A.I.M.; Tahir N.M.
Published: (2015)

Topology Approach for Crude Oil Price Forecasting of Particle Swarm Optimization and Long Short-Term Memory
by: Yusoff M.; Ehsan D.; Sharif M.Y.; Sallehud-din M.T.M.
Published: (2024)

Opposition based Particle Swarm Optimization with student T mutation (OSTPSO)
by: Imran M.; Hashim R.; Khalid N.E.A.
Published: (2012)

Binary particle swarm optimization for feature selection in detection of infants with hypothyroidism
by: Zabidi A.; Khuan L.Y.; Mansor W.; Yassin I.M.; Sahak R.
Published: (2011)

Functional novel ligand based palladium(II) separation and recovery from e-waste using solvent-ligand approach
by: Islam A.; Roy S.; Teo S.H.; Khandaker S.; Taufiq-Yap Y.H.; Aziz A.A.; Monir M.U.; Rashid U.; Vo D.-V.N.; Ibrahim M.L.; Znad H.; Awual M.R.
Published: (2022)

Carbohydrazones as new class of carbonic anhydrase inhibitors: Synthesis, kinetics, and ligand docking studies
by: Iqbal S.; Saleem M.; Azim M.K.; Taha M.; Salar U.; Khan K.M.; Perveen S.; Choudhary M.I.
Published: (2017)

Evaluation of particle swarm optimization for strength determination of tropical wood polymer composite
by: Yusoff M.; Basir A.N.M.; Kadir N.A.; Bahari S.A.
Published: (2020)

Binary particle swarm optimization for selection of features in the recognition of infants cries with asphyxia
by: Zabidi A.; Mansor W.; Lee Y.K.; Yassin I.M.; Sahak R.
Published: (2011)

NARMAX identification of DC motor model using repulsive particle swarm optimization
by: Supeni E.; Yassin I.M.; Ahmad A.; Abdul Rahman F.Y.
Published: (2009)

Particle swarm optimization for NARX structure selection - Application on DC motor model
by: Yassin I.M.; Taib M.N.; Rahim N.A.; Salleh M.K.M.; Abidin H.Z.
Published: (2010)

Particle Swarm Optimization (PSO) Model for Hydroponics pH Control System
by: Saaid M.F.; Yassin A.I.M.; Tahir N.M.
Published: (2021)

Particle Swarm Optimization in Machine Learning Prediction of Airbnb Hospitality Price Prediction
by: Masrom S.; Baharun N.; Razi N.F.M.; Rahman R.A.; Abd Rahman A.S.
Published: (2022)

Particle Swarm Optimization for NARX-ANN Baseline Energy Modelling in Educational Buildings
by: Mustapa R.F.; Dahlan N.Y.; Yassin I.M.; Hamizah Mohd Nordin A.; Mahadan M.E.; Mohamad S.
Published: (2019)

Long Term Short Memory with Particle Swarm Optimization for Crude Oil Price Prediction
by: Yusoff M.; Sharif M.Y.; Sallehud-Din M.T.M.
Published: (2023)

Daily River Flow Forecasting with Hybrid Support Vector Machine - Particle Swarm Optimization
by: Zaini N.; Malek M.A.; Yusoff M.; Mardi N.H.; Norhisham S.
Published: (2018)

Stochastic optimized relevance feedback particle swarm optimization for content based image retrieval
by: Imran M.; Hashim R.; Noor Elaiza A.K.; Irtaza A.
Published: (2014)

Discrete Mutative Particle Swarm Optimisation of MFCC computation for classifying hypothyroidal infant cry
by: Zabidi A.; Mansor W.; Khuan L.Y.; Yassin I.M.; Sahak R.
Published: (2010)

Fuzzy Logic Controller by Particle Swarm Optimization Discoverer for Semi-Active Suspension System
by: Ab Talib M.H.; Rosli N.H.M.; Darus I.Z.M.; Yatim H.M.; Hadi M.S.; Ardani M.I.; Saufi M.S.R.M.; Yamin A.H.M.
Published: (2023)

Cu(II) complexes based on benzimidazole ligands: synthesis, characterization, DFT, molecular docking & bioactivity study
by: Hamali, et al.
Published: (2024)

Optimal population size of particle swarm optimization for photovoltaic systems under partial shading condition
by: Hashim N.; Ismail N.F.N.; Johari D.; Musirin I.; Rahman A.A.
Published: (2022)

Modified BPNN via iterated least median squares, particle Swarm optimization and firefly algorithm
by: Md Ghani N.A.; Kamaruddin S.B.A.; Ramli N.M.; Musirin I.; Hashim H.
Published: (2017)

Dynamic Voltage Stability Enhancement in Electric Vehicle Battery Charger Using Particle Swarm Optimization
by: Rajendran G.; Vaithilingam C.A.; Naidu K.; Alsakati A.A.; Oruganti K.S.P.; Fauzan M.F.
Published: (2022)

MySQL database lookup table for Binary Particle Swarm optimization-based system identification
by: Yassin I.M.; Taib M.N.; Adnan R.; Salleh M.K.M.; Hamzah M.K.
Published: (2012)

Binary particle swarm optimization and f-ratio for selection of features in the recognition of asphyxiated infant cry
by: Zabidi A.; Mansor W.; Khuan L.Y.; Yassin I.M.; Sahak R.
Published: (2011)

Particle swarm optimisation of mel-frequency cepstral coefficients computation for the classification of asphyxiated infant cry
by: Zabidi A.; Mansor W.; Lee Y.K.; Mohd Yassin A.I.; Sahak R.
Published: (2010)

Improved Particle Swarm Optimization MPPT for Standalone PV System Under Varying Environmental Conditions
by: Hashim N.; Jamhari M.K.A.M.; Baharom R.
Published: (2024)

Intelligent Optimization of Novel Particle Swarm Optimization with Explorer (PSOE) for Identification of Flexible Manipulator System
by: Yatim H.M.; Zamri A.N.Y.; Hadi M.S.; Talib M.H.A.; Darus I.Z.M.
Published: (2022)

Tetradentate phenolic Schiff base ligands derived from aromatic diamine and their nickel (II) complexes: Synthesis, characterization, and in vitro anticancer screening
by: Ahmad S.N.; Bahron H.; Tajuddin A.M.; Ramasamy K.
Published: (2019)