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SFCscore: Scoring functions for affinity prediction of protein–ligand complexes
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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(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/10.1002/0471224413openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/0471224413.ch1openalex-snapshot
Small Molecule Docking and Scoring
inferredcites →https://doi.org/10.1002/0471266949.bmc007openalex-snapshot
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inferredcites →https://doi.org/10.1002/0471433519.ch2openalex-snapshot
The Use of Scoring Functions in Drug Discovery Applications
inferredcites →https://doi.org/10.1002/1439-7633(20020301)3:2/3<246::aid-cbic246>3.0.co;2-#openalex-snapshot
pH‐Dependent Binding Modes Observed in Trypsin Crystals: Lessons for Structure‐Based Drug Design
inferredcites →https://doi.org/10.1002/1521-3773(20020802)41:15<2644::aid-anie2644>3.0.co;2-oopenalex-snapshot
Approaches to the Description and Prediction of the Binding Affinity of Small-Molecule Ligands to Macromolecular Receptors
inferredcites →https://doi.org/10.1002/9780470125861.ch2openalex-snapshot
Free Energy by Molecular Simulation
inferredcites →https://doi.org/10.1002/9780470125922openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/9780470125939.ch4openalex-snapshot
Free Energy Calculations: Use and Limitations in Predicting Ligand Binding Affinities
inferredcites →https://doi.org/10.1002/anie.200200539openalex-snapshot
Application and Limitations of X‐ray Crystallographic Data in Structure‐Based Ligand and Drug Design
inferredcites →https://doi.org/10.1002/anie.200390319openalex-snapshot
Interactions with Aromatic Rings in Chemical and Biological Recognition
inferredcites →https://doi.org/10.1002/jcc.540100710openalex-snapshot
Coupled cluster method with first‐order correlation orbitals versus multireference configuration interaction method. Accurate calculations for HF, H2O, and NH3
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1002/prot.10115openalex-snapshot
Principles of docking: An overview of search algorithms and a guide to scoring functions
inferredcites →https://doi.org/10.1002/prot.10232openalex-snapshot
A new test set for validating predictions of protein–ligand interaction
inferredcites →https://doi.org/10.1002/prot.21110openalex-snapshot
Development, validation, and application of adapted PEOE charges to estimate pKa values of functional groups in protein–ligand complexes
inferredcites →https://doi.org/10.1002/prot.340230408openalex-snapshot
Atomic and residue hydrophilicity in the context of folded protein structures
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/10.1007/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/j.febslet.2005.10.031openalex-snapshot
An all atom energy based computational protocol for predicting binding affinities of protein–ligand complexes
inferredcites →https://doi.org/10.1016/j.jmgm.2004.11.007openalex-snapshot
LigScore: a novel scoring function for predicting binding affinities
inferredcites →https://doi.org/10.1016/s0022-2836(02)01408-0openalex-snapshot
Relibase: Design and Development of a Database for Comprehensive Analysis of Protein–Ligand Interactions
inferredcites →https://doi.org/10.1016/s0022-2836(02)01409-2openalex-snapshot
Utilising Structural Knowledge in Drug Design Strategies: Applications Using Relibase
inferredcites →https://doi.org/10.1021/ci049733jopenalex-snapshot
An Extensive Test of 14 Scoring Functions Using the PDBbind Refined Set of 800 Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/ci0499626openalex-snapshot
Novel Scoring Functions Comprising QXP, SASA, and Protein Side-Chain Entropy Terms
inferredcites →https://doi.org/10.1021/cr00023a004openalex-snapshot
Free energy calculations: Applications to chemical and biochemical phenomena
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A new force field for molecular mechanical simulation of nucleic acids and proteins
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VALIDATE: A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands
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Computational Methods to Predict Binding Free Energy in Ligand-Receptor Complexes
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Are Free Energy Calculations Useful in Practice? A Comparison with Rapid Scoring Functions for the p38 MAP Kinase Protein System
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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/jm0306430openalex-snapshot
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
inferredcites →https://doi.org/10.1021/jm048957qopenalex-snapshot
The PDBbind Database: Methodologies and Updates
inferredcites →https://doi.org/10.1021/jm0491501openalex-snapshot
AFMoC Enhances Predictivity of 3D QSAR: A Case Study with DOXP-reductoisomerase
inferredcites →https://doi.org/10.1021/jm050436vopenalex-snapshot
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inferredcites →https://doi.org/10.1021/jm051256oopenalex-snapshot
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/jm061277yopenalex-snapshot
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
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:1007999920146openalex-snapshot
Prediction of binding constants of protein ligands: A fast method for the prioritization of hits obtained from de novo design or 3D database search programs
inferredcites →https://doi.org/10.1023/a:1008068903544openalex-snapshot
Scoring functions: A view from the bench
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Virtual screening with solvation and ligand-induced complementarity
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Further development and validation of empirical scoring functions for structure-based binding affinity prediction
inferredcites →https://doi.org/10.1023/a:1027299602978openalex-snapshot
Receptor-based prediction of binding affinities
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1038/nrd1549openalex-snapshot
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Directed evolution of antibody fragments with monovalent femtomolar antigen-binding affinity
inferredcites →https://doi.org/10.1093/nar/gkj039openalex-snapshot
AffinDB: a freely accessible database of affinities for protein-ligand complexes from the PDB
inferredcites →https://doi.org/10.1146/annurev.bb.18.060189.002243openalex-snapshot
Free Energy Via Molecular Simulation: Applications to Chemical and Biomolecular Systems
inferredcites →https://doi.org/10.1146/annurev.biophys.32.110601.142532openalex-snapshot
Molecular Recognition and Docking Algorithms
inferredcites →https://doi.org/10.2174/138920306778559395openalex-snapshot
Scoring Functions for Protein-Ligand Docking
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/10.1002/9781394167258.ch2openalex-snapshot
Machine Learning Approaches to Improve Prediction of Target‐Drug Interactions
inferred← citeshttps://doi.org/10.1002/9783527633326.ch7openalex-snapshot
The Challenge of Affinity Prediction: Scoring Functions for Structure‐Based Virtual Screening
inferred← citeshttps://doi.org/10.1002/9783527645947.ch12openalex-snapshot
Scoring Functions for Protein–Ligand Interactions
inferred← citeshttps://doi.org/10.1002/cmdc.200900314openalex-snapshot
Comparison of Structure‐ and Ligand‐Based Virtual Screening Protocols Considering Hit List Complementarity and Enrichment Factors
inferred← citeshttps://doi.org/10.1002/cmdc.201000084openalex-snapshot
Fragment‐Based Lead Discovery: Screening and Optimizing Fragments for Thermolysin Inhibition
inferred← citeshttps://doi.org/10.1002/cphc.201402542openalex-snapshot
Protocol for Rational Design of Covalently Interacting Inhibitors
inferred← citeshttps://doi.org/10.1002/jcc.21306openalex-snapshot
Drug efficiency indices for improvement of molecular docking scoring functions
inferred← citeshttps://doi.org/10.1002/jcc.24217openalex-snapshot
DOX: A new computational protocol for accurate prediction of the protein–ligand binding structures
inferred← citeshttps://doi.org/10.1002/minf.201200022openalex-snapshot
Nearly no Scoring Function Without a Hansch‐Analysis
inferred← citeshttps://doi.org/10.1002/minf.201600048openalex-snapshot
Empirical Scoring Functions for Affinity Prediction of Protein‐ligand Complexes
inferred← citeshttps://doi.org/10.1002/wcms.1192openalex-snapshot
Protein–ligand interaction databases: advanced tools to mine activity data and interactions on a structural level
inferred← citeshttps://doi.org/10.1002/wcms.1225openalex-snapshot
Machine‐learning scoring functions to improve structure‐based binding affinity prediction and virtual screening
inferred← citeshttps://doi.org/10.1002/wcms.1429openalex-snapshot
From machine learning to deep learning: Advances in scoring functions for protein–ligand docking
inferred← citeshttps://doi.org/10.1002/wcms.1567openalex-snapshot
Featurization strategies for protein–ligand interactions and their applications in scoring function development
inferred← citeshttps://doi.org/10.1007/978-1-62703-398-5_1openalex-snapshot
Protein–Ligand Interactions: Fundamentals
inferred← citeshttps://doi.org/10.1007/978-3-642-14922-1_85openalex-snapshot
A Residual Level Potential of Mean Force Based Approach to Predict Protein-Protein Interaction Affinity
inferred← citeshttps://doi.org/10.1007/978-3-642-31576-3_27openalex-snapshot
Protein-Protein Interaction Affinity Prediction Based on Interface Descriptors and Machine Learning
inferred← citeshttps://doi.org/10.1007/978-3-642-34123-6_2openalex-snapshot
Machine Learning Scoring Functions Based on Random Forest and Support Vector Regression
inferred← citeshttps://doi.org/10.1007/s00726-023-03297-yopenalex-snapshot
In the quest for histone deacetylase inhibitors: current trends in the application of multilayered computational methods
inferred← citeshttps://doi.org/10.1007/s00894-014-2472-5openalex-snapshot
Conformational analysis of a polyconjugated protein-binding ligand by joint quantum chemistry and polarizable molecular mechanics. Addressing the issues of anisotropy, conjugation, polarization, and multipole transferability
inferred← citeshttps://doi.org/10.1007/s10822-009-9276-1openalex-snapshot
Robust optimization of scoring functions for a target class
inferred← citeshttps://doi.org/10.1007/s10822-012-9626-2openalex-snapshot
A consistent description of HYdrogen bond and DEhydration energies in protein–ligand complexes: methods behind the HYDE scoring function
inferred← citeshttps://doi.org/10.1007/s10822-020-00294-1openalex-snapshot
SAMPL6 host–guest binding affinities and binding poses from spherical-coordinates-biased simulations
inferred← citeshttps://doi.org/10.1007/s10822-020-00335-9openalex-snapshot
SAMPL7 TrimerTrip host–guest binding poses and binding affinities from spherical-coordinates-biased simulations
inferred← citeshttps://doi.org/10.1007/s10822-021-00423-4openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10822-022-00475-0openalex-snapshot
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host–guest binding: I. Standard procedure
inferred← citeshttps://doi.org/10.1007/s10822-022-00487-wopenalex-snapshot
Comprehensive evaluation of end-point free energy techniques in carboxylated-pillar[6]arene host–guest binding: II. regression and dielectric constant
inferred← citeshttps://doi.org/10.1007/s11030-021-10266-8openalex-snapshot
AI in drug development: a multidisciplinary perspective
inferred← citeshttps://doi.org/10.1007/s11831-021-09661-zopenalex-snapshot
Exploring Artificial Intelligence in Drug Discovery: A Comprehensive Review
inferred← citeshttps://doi.org/10.1007/s12539-019-00327-wopenalex-snapshot
An Overview of Scoring Functions Used for Protein–Ligand Interactions in Molecular Docking
inferred← citeshttps://doi.org/10.1016/b978-0-12-821748-1.00009-9openalex-snapshot
Advances in structure-based drug design
inferred← citeshttps://doi.org/10.1016/b978-0-12-822312-3.00011-4openalex-snapshot
Modern Tools and Techniques in Computer-Aided Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-323-90264-9.00024-6openalex-snapshot
Advances in structure-based virtual screening for drug discovery
inferred← citeshttps://doi.org/10.1016/bs.arcc.2024.10.001openalex-snapshot
Machine learning and deep learning based scoring functions in deciphering ligand-receptor binding: An application in drug design for GPCRs
inferred← citeshttps://doi.org/10.1016/j.bpj.2012.11.2258openalex-snapshot
A Multibody Atomic Statistical Potential for Predicting Enzyme-Inhibitor Binding Energy
inferred← citeshttps://doi.org/10.1016/j.cclet.2013.06.016openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.csbj.2020.02.008openalex-snapshot
Exploring the computational methods for protein-ligand binding site prediction
inferred← citeshttps://doi.org/10.1016/j.csbj.2022.08.001openalex-snapshot
Host-pathogen protein-nucleic acid interactions: A comprehensive review
inferred← citeshttps://doi.org/10.1016/j.ddtec.2010.12.003openalex-snapshot
Docking compared to 3D-pharmacophores: the scoring function challenge
inferred← citeshttps://doi.org/10.1016/j.drudis.2009.03.013openalex-snapshot
Targeted scoring functions for virtual screening
inferred← citeshttps://doi.org/10.1016/j.drudis.2020.03.003openalex-snapshot
Machine learning models for drug–target interactions: current knowledge and future directions
inferred← citeshttps://doi.org/10.1016/j.drudis.2022.07.004openalex-snapshot
Harnessing systematic protein–ligand interaction fingerprints for drug discovery
inferred← citeshttps://doi.org/10.1016/j.drudis.2024.103891openalex-snapshot
Drugging the entire human proteome: Are we there yet?
inferred← citeshttps://doi.org/10.1016/j.ejmech.2014.10.078openalex-snapshot
Molecular dynamics: New advances in drug discovery
inferred← citeshttps://doi.org/10.1016/j.jmb.2008.09.073openalex-snapshot
The Thermodynamics of Protein–Ligand Interaction and Solvation: Insights for Ligand Design
inferred← citeshttps://doi.org/10.1016/j.jmgm.2014.07.010openalex-snapshot
An electronic environment and contact direction sensitive scoring function for predicting affinities of protein–ligand complexes in Contour®
inferred← citeshttps://doi.org/10.1016/j.jmgm.2017.12.012openalex-snapshot
Activity-based classification circumvents affinity prediction problems for pyrrolidine carboxamide inhibitors of InhA
inferred← citeshttps://doi.org/10.1016/j.jmgm.2023.108434openalex-snapshot
Application of computational methods for class A GPCR Ligand discovery
inferred← citeshttps://doi.org/10.1016/j.mencom.2009.09.001openalex-snapshot
Molecular docking: theoretical background, practical applications and perspectives
inferred← citeshttps://doi.org/10.1016/j.ymeth.2014.10.019openalex-snapshot
Structure based virtual screening to discover putative drug candidates: Necessary considerations and successful case studies
inferred← citeshttps://doi.org/10.1021/acs.accounts.6b00491openalex-snapshot
Forging the Basis for Developing Protein–Ligand Interaction Scoring Functions
inferred← citeshttps://doi.org/10.1021/acs.jcim.0c00474openalex-snapshot
Development of a New Scoring Function for Virtual Screening: APBScore
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00334openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00573openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00771openalex-snapshot
graphLambda: Fusion Graph Neural Networks for Binding Affinity Prediction
inferred← citeshttps://doi.org/10.1021/acs.jcim.4c01175openalex-snapshot
CPIScore: A Deep Learning Approach for Rapid Scoring and Interpretation of Protein–Ligand Binding Interactions
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00650openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acs.jcim.9b00457openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/acscatal.2c02305openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci100257sopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci1003009openalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci100473dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci200220vopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci200274qopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci200377uopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci300493wopenalex-snapshot
ID-Score: A New Empirical Scoring Function Based on a Comprehensive Set of Descriptors Related to Protein–Ligand Interactions
inferred← citeshttps://doi.org/10.1021/ci400120bopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci500091ropenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci500406kopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci900403sopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci9004139openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/nrd3139openalex-snapshot
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inferred← citeshttps://doi.org/10.1038/srep46710openalex-snapshot
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inferred← citeshttps://doi.org/10.1039/9781849735377-00195openalex-snapshot
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inferred← citeshttps://doi.org/10.1039/c0cp00151aopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/c4md00216dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1039/c6sc01000hopenalex-snapshot
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inferred← citeshttps://doi.org/10.1063/1.5133601openalex-snapshot
Survey of the scoring functions for protein-ligand docking
inferred← citeshttps://doi.org/10.1080/00268976.2016.1213908openalex-snapshot
Docking accuracy enhanced by QM-derived protein charges
inferred← citeshttps://doi.org/10.1080/08927022.2014.935372openalex-snapshot
An introduction to biomolecular simulations and docking
inferred← citeshttps://doi.org/10.1080/17460441.2021.1929921openalex-snapshot
Computational representations of protein–ligand interfaces for structure-based virtual screening
inferred← citeshttps://doi.org/10.1093/bib/bbaa107openalex-snapshot
Computationally predicting binding affinity in protein–ligand complexes: free energy-based simulations and machine learning-based scoring functions
inferred← citeshttps://doi.org/10.1093/bib/bbab054openalex-snapshot
Machine learning on ligand-residue interaction profiles to significantly improve binding affinity prediction
inferred← citeshttps://doi.org/10.1093/bioinformatics/btz665openalex-snapshot
Learning from the ligand: using ligand-based features to improve binding affinity prediction
inferred← citeshttps://doi.org/10.1109/bibmw.2012.6470315openalex-snapshot
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inferred← citeshttps://doi.org/10.1109/embc.2012.6347246openalex-snapshot
A multibody atomic statistical potential for the prediction of enzyme-inhibitor binding energy
inferred← citeshttps://doi.org/10.11131/2016/101202openalex-snapshot
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inferred← citeshttps://doi.org/10.11606/t.76.2015.tde-02102015-093453openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/1471-2105-12-245openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/1472-6807-13-s1-s1openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-p27openalex-snapshot
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inferred← citeshttps://doi.org/10.1186/s12859-017-1533-zopenalex-snapshot
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inferred← citeshttps://doi.org/10.1515/cmb-2019-0009openalex-snapshot
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inferred← citeshttps://doi.org/10.1517/17425250802568009openalex-snapshot
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inferred← citeshttps://doi.org/10.15406/mojpb.2015.02.00042openalex-snapshot
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inferred← citeshttps://doi.org/10.17192/z2007.0753openalex-snapshot
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inferred← citeshttps://doi.org/10.2174/1381612811319120005openalex-snapshot
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inferred← citeshttps://doi.org/10.22028/d291-26000openalex-snapshot
Characterization, classification and alignment of protein-protein interfaces
inferred← citeshttps://doi.org/10.25439/rmt.27581778openalex-snapshot
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inferred← citeshttps://doi.org/10.3389/fbinf.2022.885983openalex-snapshot
Scoring Functions for Protein-Ligand Binding Affinity Prediction Using Structure-based Deep Learning: A Review
inferred← citeshttps://doi.org/10.3389/fphar.2018.01089openalex-snapshot
Empirical Scoring Functions for Structure-Based Virtual Screening: Applications, Critical Aspects, and Challenges
inferred← citeshttps://doi.org/10.3390/ijms11083016openalex-snapshot
Advances and Challenges in Protein-Ligand Docking
inferred← citeshttps://doi.org/10.3390/molecules200713384openalex-snapshot
Molecular Docking and Structure-Based Drug Design Strategies
inferred← citeshttps://doi.org/10.3390/ph17050620openalex-snapshot
The Histone Deacetylase Family: Structural Features and Application of Combined Computational Methods
inferred← citeshttps://doi.org/10.36837/chapman.000286openalex-snapshot
Drug Repurposing for COVID-19 Using Molecular Docking Tools
inferred← citeshttps://doi.org/10.4018/978-1-5225-0115-2.ch003openalex-snapshot
Scoring Functions in Docking Experiments
inferred← citeshttps://doi.org/10.6026/97320630009409openalex-snapshot
Binding interactions of porphyrin derivatives with Ca2+ ATPase of sarcoplasmic reticulum (SERCA1a)
inferred← citeshttps://doi.org/10.70675/00fff70azab21z46edz8364z60031c95c00fopenalex-snapshot
Applications of proteochemometrics (PCM) : from species extrapolation to cell-line sensitivity modelling
inferred← citeshttps://doi.org/10.70675/5a9ec911z0a71z4e28zbe61za14331956923openalex-snapshot
Analyse et exploitation des données associées aux variants d’IgG décrits dans les brevets : paysage brevet des variants d'anticorps IgG4 à activité antagoniste et mise au point d'un modèle de prédiction d'affinité pour FcRn par apprentissage machine
inferred← citeshttps://doi.org/10.70675/f0567b86z4fdfz4cc8zb716z49ec4d7b8548openalex-snapshot
Développements HPC pour une nouvelle méthode de docking inverse : applications aux protéines matricielles.
inferred← citeshttps://doi.org/10.7936/k74747vhopenalex-snapshot
Examination of Molecular Recognition in Protein-Ligand Interactions
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