On the public citation graph

ConsDock: A new program for the consensus analysis of protein–ligand interactions

0 signed · 159 inferred · view as graph

Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.

Is this your work? Sign in with ORCID and put your name on the claims that are yours.
Claim with ORCID
Reference health. See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/(sici)1096-987x(19970715)18:9<1175::aid-jcc6>3.0.co;2-oopenalex-snapshot
Critical evaluation of search algorithms for automated molecular docking and database screening
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19981115)19:14<1639::aid-jcc10>3.0.co;2-bopenalex-snapshot
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
inferredcites →https://doi.org/10.1002/(sici)1096-987x(199908)20:11<1165::aid-jcc7>3.0.co;2-aopenalex-snapshot
BLEEP?potential of mean force describing protein-ligand interactions: I. Generating potential
inferredcites →https://doi.org/10.1002/(sici)1097-0134(1997)1+<215::aid-prot29>3.0.co;2-qopenalex-snapshot
Flexible protein–ligand docking by global energy optimization in internal coordinates
inferredcites →https://doi.org/10.1002/(sici)1097-0134(19981115)33:3<367::aid-prot6>3.0.co;2-wopenalex-snapshot
Flexible docking using tabu search and an empirical estimate of binding affinity
inferredcites →https://doi.org/10.1002/(sici)1097-0134(19991101)37:2<228::aid-prot8>3.0.co;2-8openalex-snapshot
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
inferredcites →https://doi.org/10.1002/1097-0134(20010501)43:2<113::aid-prot1023>3.0.co;2-topenalex-snapshot
High throughput docking for library design and library prioritization
inferredcites →https://doi.org/10.1002/1521-3773(20010119)40:2<389::aid-anie389>3.0.co;2-#openalex-snapshot
Subnanomolar Inhibitors from Computer Screening: A Model Study Using Human Carbonic Anhydrase II
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1006/jmbi.1996.0477openalex-snapshot
A Fast Flexible Docking Method using an Incremental Construction Algorithm
inferredcites →https://doi.org/10.1006/jmbi.1996.0897openalex-snapshot
Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen
inferredcites →https://doi.org/10.1006/jmbi.1999.3371openalex-snapshot
Knowledge-based scoring function to predict protein-ligand interactions
inferredcites →https://doi.org/10.1007/bf00126743openalex-snapshot
The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure
inferredcites →https://doi.org/10.1007/s008940050096openalex-snapshot
SCORE: A New Empirical Method for Estimating the Binding Affinity of a Protein-Ligand Complex
inferredcites →https://doi.org/10.1016/1074-5521(95)90050-0openalex-snapshot
Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming
inferredcites →https://doi.org/10.1016/s0169-409x(00)00129-0openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings 1PII of original article: S0169-409X(96)00423-1. The article was originally published in Advanced Drug Delivery Reviews 23 (1997) 3–25. 1
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0959-440x(00)00195-0openalex-snapshot
Statistical potentials and scoring functions applied to protein–ligand binding
inferredcites →https://doi.org/10.1016/s1093-3263(98)00018-7openalex-snapshot
Development of filter functions for protein–ligand docking
inferredcites →https://doi.org/10.1021/bi992474kopenalex-snapshot
Inhibitors of Kinesin Activity from Structure-Based Computer Screening
inferredcites →https://doi.org/10.1021/ci010025xopenalex-snapshot
How Does Consensus Scoring Work for Virtual Library Screening? An Idealized Computer Experiment
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci960466uopenalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion
inferredcites →https://doi.org/10.1021/ci990261wopenalex-snapshot
Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries
inferredcites →https://doi.org/10.1021/ja00124a002openalex-snapshot
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
inferredcites →https://doi.org/10.1021/ja9539002openalex-snapshot
VALIDATE: A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands
inferredcites →https://doi.org/10.1021/jm000017sopenalex-snapshot
Novel Inhibitors of DNA Gyrase: 3D Structure Based Biased Needle Screening, Hit Validation by Biophysical Methods, and 3D Guided Optimization. A Promising Alternative to Random Screening
inferredcites →https://doi.org/10.1021/jm0003992openalex-snapshot
Detailed Analysis of Scoring Functions for Virtual Screening
inferredcites →https://doi.org/10.1021/jm001044lopenalex-snapshot
Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
inferredcites →https://doi.org/10.1021/jm001090lopenalex-snapshot
A New Concept for Multidimensional Selection of Ligand Conformations (MultiSelect) and Multidimensional Scoring (MultiScore) of Protein−Ligand Binding Affinities
inferredcites →https://doi.org/10.1021/jm980536jopenalex-snapshot
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
inferredcites →https://doi.org/10.1021/jm990352kopenalex-snapshot
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
inferredcites →https://doi.org/10.1021/jm990408aopenalex-snapshot
Successful Virtual Screening of a Chemical Database for Farnesyltransferase Inhibitor Leads
inferredcites →https://doi.org/10.1021/jm9910775openalex-snapshot
Predicting Binding Affinities of Protein Ligands from Three-Dimensional Models: Application to Peptide Binding to Class I Major Histocompatibility Proteins
inferredcites →https://doi.org/10.1023/a:1007907728892openalex-snapshot
QXP: Powerful, rapid computer algorithms for structure-based drug design
inferredcites →https://doi.org/10.1023/a:1007996124545openalex-snapshot
Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes
inferredcites →https://doi.org/10.1023/a:1008005918983openalex-snapshot
MCDOCK: A Monte Carlo simulation approach to the molecular docking problem
inferredcites →https://doi.org/10.1023/a:1008068903544openalex-snapshot
Scoring functions: A view from the bench
inferredcites →https://doi.org/10.1023/a:1008130001697openalex-snapshot
Property distribution of drug-related chemical databases*
inferredcites →https://doi.org/10.1093/nar/28.1.235openalex-snapshot
The Protein Data Bank
inferredcites →https://doi.org/10.1093/protein/12.8.639openalex-snapshot
Automated docking of peptides and proteins by using a genetic algorithm combined with a tabu search
inferredcites →https://doi.org/10.1126/science.6879170openalex-snapshot
Solvent-Accessible Surfaces of Proteins and Nucleic Acids
inferredcites →https://doi.org/10.1248/cpb.40.127openalex-snapshot
Simple Method of Calculating Octanol/Water Partition Coefficient.

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/0471266949.bmc140openalex-snapshot
Docking and Scoring in Drug Discovery
inferred← citeshttps://doi.org/10.1002/0471266949.bmc301openalex-snapshot
Docking, Scoring, and Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.1002/9783527619368.ch18openalex-snapshot
Lead Identification by Virtual Screening
inferred← citeshttps://doi.org/10.1002/9783527633326.ch6openalex-snapshot
Docking Methods for Virtual Screening: Principles and Recent Advances
inferred← citeshttps://doi.org/10.1002/9783527645121.ch2openalex-snapshot
Developing Best Practices for Descriptor‐Based Property Prediction: Appropriate Matching of Datasets, Descriptors, Methods, and Expectations
inferred← citeshttps://doi.org/10.1002/jcc.10306openalex-snapshot
Detailed analysis of grid‐based molecular docking: A case study of CDOCKER—A CHARMm‐based MD docking algorithm
inferred← citeshttps://doi.org/10.1002/jcc.20013openalex-snapshot
Development and evaluation of a generic evolutionary method for protein–ligand docking
inferred← citeshttps://doi.org/10.1002/jcc.24031openalex-snapshot
GeauxDock: A novel approach for mixed‐resolution ligand docking using a descriptor‐based force field
inferred← citeshttps://doi.org/10.1002/prot.10237openalex-snapshot
Protein‐based virtual screening of chemical databases. II. Are homology models of g‐protein coupled receptors suitable targets?
inferred← citeshttps://doi.org/10.1002/prot.10270openalex-snapshot
Virtual screening to enrich hit lists from high‐throughput screening: A case study on small‐molecule inhibitors of angiogenin
inferred← citeshttps://doi.org/10.1002/prot.10465openalex-snapshot
Improved protein–ligand docking using GOLD
inferred← citeshttps://doi.org/10.1002/prot.10599openalex-snapshot
A pharmacophore docking algorithm and its application to the cross‐docking of 18 HIV‐NNRTI's in their binding pockets
inferred← citeshttps://doi.org/10.1002/prot.10625openalex-snapshot
Recovering the true targets of specific ligands by virtual screening of the protein data bank
inferred← citeshttps://doi.org/10.1002/prot.20035openalex-snapshot
GEMDOCK: A generic evolutionary method for molecular docking
inferred← citeshttps://doi.org/10.1002/prot.20088openalex-snapshot
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
inferred← citeshttps://doi.org/10.1002/prot.20149openalex-snapshot
Comparative evaluation of eight docking tools for docking and virtual screening accuracy
inferred← citeshttps://doi.org/10.1002/prot.21082openalex-snapshot
Protein–ligand docking: Current status and future challenges
inferred← citeshttps://doi.org/10.1002/prot.21487openalex-snapshot
A novel approach to local similarity of protein binding sites substantially improves computational drug design results
inferred← citeshttps://doi.org/10.1002/prot.23173openalex-snapshot
The interprotein scoring noises in glide docking scores
inferred← citeshttps://doi.org/10.1002/qsar.200510183openalex-snapshot
Dock around the Clock – Current Status of Small Molecule Docking and Scoring
inferred← citeshttps://doi.org/10.1007/978-1-0716-0282-9_2openalex-snapshot
QM Implementation in Drug Design: Does It Really Help?
inferred← citeshttps://doi.org/10.1007/978-1-4419-1327-2_14openalex-snapshot
In silico Discovery of Chemotherapeutic Agents
inferred← citeshttps://doi.org/10.1007/978-1-59259-948-6_5openalex-snapshot
The Role and Application of In Silico Docking in Chemical Genomics Research
inferred← citeshttps://doi.org/10.1007/978-3-642-19615-7_16openalex-snapshot
Virtual screening by molecular docking
inferred← citeshttps://doi.org/10.1007/978-90-481-2368-1_2openalex-snapshot
Complementarity of Hydrophobic/Hydrophilic Properties In Protein—Ligand Complexes: A New Tool to Improve Docking Results
inferred← citeshttps://doi.org/10.1007/s00253-003-1344-1openalex-snapshot
The challenge of multidrug resistance: actual strategies in the development of novel antibacterials
inferred← citeshttps://doi.org/10.1007/s00500-005-0487-7openalex-snapshot
Evolutionary algorithms and de novo peptide design
inferred← citeshttps://doi.org/10.1007/s10822-006-9047-1openalex-snapshot
A Virtual Active Compound Produced from the Negative Image of a Ligand-binding Pocket, and its Application to in-silico Drug Screening
inferred← citeshttps://doi.org/10.1007/s10895-016-1986-xopenalex-snapshot
Correlation Between Molecular Modelling and Spectroscopic Techniques in Investigation With DNA Binding Interaction of Ruthenium(II) Complexes
inferred← citeshttps://doi.org/10.1007/s12551-016-0247-1openalex-snapshot
Software for molecular docking: a review
inferred← citeshttps://doi.org/10.1016/b978-0-12-407865-9.00015-7openalex-snapshot
From Heptahelical Bundle to Hits from the Haystack
inferred← citeshttps://doi.org/10.1016/b978-0-12-819497-3.00015-5openalex-snapshot
In silico development of quorum sensing inhibitors
inferred← citeshttps://doi.org/10.1016/j.abb.2015.05.011openalex-snapshot
Receptor-based virtual screening protocol for drug discovery
inferred← citeshttps://doi.org/10.1016/j.chemolab.2005.06.017openalex-snapshot
Tribe-PSO: A novel global optimization algorithm and its application in molecular docking
inferred← citeshttps://doi.org/10.1016/j.drudis.2006.03.009openalex-snapshot
Consensus scoring for protein–ligand interactions
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.12.028openalex-snapshot
In-silico drug screening method based on the protein–compound affinity matrix using the factor selection technique
inferred← citeshttps://doi.org/10.1016/j.jmgm.2005.04.004openalex-snapshot
Similarities among receptor pockets and among compounds: Analysis and application to in silico ligand screening
inferred← citeshttps://doi.org/10.1016/j.jmgm.2005.11.006openalex-snapshot
Multiple target screening method for robust and accurate in silico ligand screening
inferred← citeshttps://doi.org/10.1016/j.jmgm.2006.05.001openalex-snapshot
Finding ligands for G protein-coupled receptors based on the protein–compound affinity matrix
inferred← citeshttps://doi.org/10.1016/j.jmgm.2007.07.001openalex-snapshot
Prediction of protein–ligand complex structure by docking software guided by other complex structures
inferred← citeshttps://doi.org/10.1016/j.jmgm.2011.08.002openalex-snapshot
Protein–ligand docking guided by ligand pharmacophore-mapping experiment by NMR
inferred← citeshttps://doi.org/10.1016/j.molliq.2008.06.008openalex-snapshot
Molecular simulation of sodium butyl benzene sulfonate at air–water interface and in aqueous solution
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.08.001openalex-snapshot
Virtual screening: An in silico tool for interlacing the chemical universe with the proteome
inferred← citeshttps://doi.org/10.1016/s0959-440x(03)00074-5openalex-snapshot
Protein informatics towards function identification
inferred← citeshttps://doi.org/10.1016/s0959-440x(03)00075-7openalex-snapshot
Ligand binding: functional site location, similarity and docking
inferred← citeshttps://doi.org/10.1016/s1572-557x(05)02001-5openalex-snapshot
Reverse pharmacognosy: a new concept for accelerating natural drug discovery
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00158openalex-snapshot
Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00153openalex-snapshot
Machine Learning Consensus Scoring Improves Performance Across Targets in Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.8b00329openalex-snapshot
Novel Consensus Docking Strategy to Improve Ligand Pose Prediction
inferred← citeshttps://doi.org/10.1021/acsomega.2c02714openalex-snapshot
In Silico Investigations into the Selectivity of Psychoactive and New Psychoactive Substances in Monoamine Transporters
inferred← citeshttps://doi.org/10.1021/ci049733jopenalex-snapshot
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein−Ligand Complexes
inferred← citeshttps://doi.org/10.1021/ci050141qopenalex-snapshot
A Comparative Study on the Application of Hierarchical−Agglomerative Clustering Approaches to Organize Outputs of Reiterated Docking Runs
inferred← citeshttps://doi.org/10.1021/ci0501995openalex-snapshot
Probing Fragment Complementation by Rigid-Body Docking: in Silico Reconstitution of Calbindin D9k
inferred← citeshttps://doi.org/10.1021/ci050296yopenalex-snapshot
The Use of Consensus Scoring in Ligand-Based Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci060152zopenalex-snapshot
Noise Reduction Method for Molecular Interaction Energy: Application to in Silico Drug Screening and in Silico Target Protein Screening
inferred← citeshttps://doi.org/10.1021/ci200269qopenalex-snapshot
CSAR Benchmark Exercise of 2010: Combined Evaluation Across All Submitted Scoring Functions
inferred← citeshttps://doi.org/10.1021/ci200274qopenalex-snapshot
DSX: A Knowledge-Based Scoring Function for the Assessment of Protein–Ligand Complexes
inferred← citeshttps://doi.org/10.1021/ci200446yopenalex-snapshot
Library Enhancement through the Wisdom of Crowds
inferred← citeshttps://doi.org/10.1021/ci200528dopenalex-snapshot
Recognizing Pitfalls in Virtual Screening: A Critical Review
inferred← citeshttps://doi.org/10.1021/ci400067copenalex-snapshot
Improving the Scoring of Protein–Ligand Binding Affinity by Including the Effects of Structural Water and Electronic Polarization
inferred← citeshttps://doi.org/10.1021/ci600253eopenalex-snapshot
A Common Reference Framework for Analyzing/Comparing Proteins and Ligands. Fingerprints for Ligands And Proteins (FLAP): Theory and Application
inferred← citeshttps://doi.org/10.1021/ci600334uopenalex-snapshot
An Efficient in Silico Screening Method Based on the Protein−Compound Affinity Matrix and Its Application to the Design of a Focused Library for Cytochrome P450 (CYP) Ligands
inferred← citeshttps://doi.org/10.1021/ci600342eopenalex-snapshot
Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
inferred← citeshttps://doi.org/10.1021/ci700398hopenalex-snapshot
Docking Ligands into Flexible and Solvated Macromolecules. 2. Development and Application of F itted 1.5 to the Virtual Screening of Potential HCV Polymerase Inhibitors
inferred← citeshttps://doi.org/10.1021/ci800084xopenalex-snapshot
An Alternative Method for the Evaluation of Docking Performance: RSR vs RMSD
inferred← citeshttps://doi.org/10.1021/ci800103uopenalex-snapshot
BALLDock/SLICK: A New Method for Protein-Carbohydrate Docking
inferred← citeshttps://doi.org/10.1021/ct700029qopenalex-snapshot
Prediction of the Structure of Complexes Comprised of Proteins and Glycosaminoglycans Using Docking Simulation and Cluster Analysis
inferred← citeshttps://doi.org/10.1021/ja100259ropenalex-snapshot
Single-Molecule Pulling Simulations Can Discern Active from Inactive Enzyme Inhibitors
inferred← citeshttps://doi.org/10.1021/jm0203783openalex-snapshot
Comparative Evaluation of 11 Scoring Functions for Molecular Docking
inferred← citeshttps://doi.org/10.1021/jm025618topenalex-snapshot
Comparing Performance of Computational Tools for Combinatorial Library Design
inferred← citeshttps://doi.org/10.1021/jm040895gopenalex-snapshot
SAR and 3D-QSAR Studies on Thiadiazolidinone Derivatives: Exploration of Structural Requirements for Glycogen Synthase Kinase 3 Inhibitors
inferred← citeshttps://doi.org/10.1021/jm049650uopenalex-snapshot
Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking
inferred← citeshttps://doi.org/10.1021/jm049798dopenalex-snapshot
Comparison of Automated Docking Programs as Virtual Screening Tools
inferred← citeshttps://doi.org/10.1021/jm0498147openalex-snapshot
Assessment of Multiple Binding Modes in Ligand−Protein Docking
inferred← citeshttps://doi.org/10.1021/jm050480aopenalex-snapshot
Classification of Chemical Compounds by Protein−Compound Docking for Use in Designing a Focused Library
inferred← citeshttps://doi.org/10.1021/jm0508538openalex-snapshot
Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking
inferred← citeshttps://doi.org/10.1021/jm058047oopenalex-snapshot
Effects of Variable Docking Conditions and Scoring Functions on Corresponding Protein-Aligned Comparative Molecular Field Analysis Models Constructed from Diverse Human Protein Tyrosine Phosphatase 1B Inhibitors
inferred← citeshttps://doi.org/10.1021/jm061277yopenalex-snapshot
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
inferred← citeshttps://doi.org/10.1021/tx050301sopenalex-snapshot
Computational Screening of Phthalate Monoesters for Binding to PPARγ
inferred← citeshttps://doi.org/10.1023/b:jcam.0000005766.95985.7eopenalex-snapshot
A novel scoring function for molecular docking
inferred← citeshttps://doi.org/10.1023/b:jcam.0000022561.76694.5bopenalex-snapshot
Identifying the binding mode of a molecular scaffold
inferred← citeshttps://doi.org/10.1038/sj.bjp.0707515openalex-snapshot
Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go
inferred← citeshttps://doi.org/10.1055/s-0034-1396314openalex-snapshot
How to Valorize Biodiversity? Letʼs Go Hashing, Extracting, Filtering, Mining, Fishing
inferred← citeshttps://doi.org/10.1089/cmb.2010.0017openalex-snapshot
Exploring the Landscape of Protein-Ligand Interaction Energy Using Probabilistic Approach
inferred← citeshttps://doi.org/10.1093/bioinformatics/btac452openalex-snapshot
DockingPie: a consensus docking plugin for PyMOL
inferred← citeshttps://doi.org/10.1093/toxsci/kfr345openalex-snapshot
Mechanism of Inhibition of the ATPase Domain of Human Topoisomerase IIα by 1,4-Benzoquinone, 1,2-Naphthoquinone, 1,4-Naphthoquinone, and 9,10-Phenanthroquinone
inferred← citeshttps://doi.org/10.1109/aihcir61661.2023.00107openalex-snapshot
Toxicity Prediction Study of Small Molecules Based on Graph Attention Networks
inferred← citeshttps://doi.org/10.1109/escience.2008.26openalex-snapshot
DrugScreener-G: Towards an Integrated Environment for Grid-Enabled Large-Scale Virtual Screening and Drug Discovery
inferred← citeshttps://doi.org/10.1110/ps.04941505openalex-snapshot
Physicochemical and residue conservation calculations to improve the ranking of protein–protein docking solutions
inferred← citeshttps://doi.org/10.1142/s0219720021500037openalex-snapshot
An evaluation of combined strategies for improving the performance of molecular docking
inferred← citeshttps://doi.org/10.1186/s12859-022-04595-0openalex-snapshot
D3PM: a comprehensive database for protein motions ranging from residue to domain
inferred← citeshttps://doi.org/10.1186/s13321-016-0112-zopenalex-snapshot
vSDC: a method to improve early recognition in virtual screening when limited experimental resources are available
inferred← citeshttps://doi.org/10.1186/s13321-019-0394-zopenalex-snapshot
ACID: a free tool for drug repurposing using consensus inverse docking strategy
inferred← citeshttps://doi.org/10.1194/jlr.r200016-jlr200openalex-snapshot
The application of computational methods to explore the diversity and structure of bacterial fatty acid synthase
inferred← citeshttps://doi.org/10.12691/ajmo-3-3-2openalex-snapshot
How Important is to Account for Water When Modeling Biomolecular Complexes
inferred← citeshttps://doi.org/10.1371/journal.pone.0028428openalex-snapshot
Discovery of Novel MDR-Mycobacterium tuberculosis Inhibitor by New FRIGATE Computational Screen
inferred← citeshttps://doi.org/10.1504/ijahuc.2010.035535openalex-snapshot
DockFlow: Achieving interoperability of protein docking tools across heterogeneous Grid middleware
inferred← citeshttps://doi.org/10.15302/j-qb-022-0321openalex-snapshot
Exploration on learning molecular docking with deep learning models
inferred← citeshttps://doi.org/10.18745/th.22138openalex-snapshot
In Silico and In Vitro Investigation into the Next Generation of New Psychoactive Substances
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1066901/v1openalex-snapshot
Deep Learning Model of Dock by Dock Process Significantly Accelerate the Process of Docking-Based Virtual Screening
inferred← citeshttps://doi.org/10.21203/rs.3.rs-59550/v1openalex-snapshot
D3PM: A Comprehensive Database for Protein Motions Ranging from Residue to Domain
inferred← citeshttps://doi.org/10.2174/0929867311320180002openalex-snapshot
Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the Field
inferred← citeshttps://doi.org/10.2174/1381612043452721openalex-snapshot
Recent Development and Application of Virtual Screening in Drug Discovery: An Overview
inferred← citeshttps://doi.org/10.2174/1381612053382106openalex-snapshot
Docking: Successes and Challenges
inferred← citeshttps://doi.org/10.2174/138161209789824786openalex-snapshot
Customizing G Protein-Coupled Receptor Models for Structure-Based Virtual Screening
inferred← citeshttps://doi.org/10.2174/1573407214666181023114820openalex-snapshot
Consensus Docking in Drug Discovery
inferred← citeshttps://doi.org/10.2174/978160805206610603010675openalex-snapshot
Recent Development and Application of Virtual Screening in Drug Discovery: An Overview
inferred← citeshttps://doi.org/10.2741/3854openalex-snapshot
Protein-ligand docking
inferred← citeshttps://doi.org/10.34626/0hnm-hn65openalex-snapshot
New Computational Methods to Calculate Drug-Receptor Binding Free Energies
inferred← citeshttps://doi.org/10.3929/ethz-a-004447026openalex-snapshot
Development and application of new methods for the virtual screening of chemical databases
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch011openalex-snapshot
Recent Advancements in Docking Methodologies
inferred← citeshttps://doi.org/10.4018/978-1-5225-0549-5.ch033openalex-snapshot
Recent Advancements in Docking Methodologies
inferred← citeshttps://doi.org/10.4018/978-1-5225-7326-5.ch005openalex-snapshot
Virtual Screening and Its Applications in Drug Discovery Process
inferred← citeshttps://doi.org/10.4310/cis.241021221101openalex-snapshot
Docking strategies for predicting protein-ligand interactions and their application to structure-based drug design
inferred← citeshttps://doi.org/10.5114/bta.2011.46542openalex-snapshot
REVIEW PAPER Virtual screening strategies in drug design – methods and applications
inferred← citeshttps://doi.org/10.5935/1984-6835.20120055openalex-snapshot
Virtual Screening Strategies in Drug Design
Editorial review for independent work. ICSAC — the Institute for Complexity Science and Advanced Computing — runs a structured editorial panel for researchers publishing outside journals, and publishes on CiteStamp rails. Submission is free and goes through ORCID: icsacinstitute.org/submit.