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Automatic Tailoring and Transplanting: A Practical Method that Makes Virtual Screening More Useful

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What this work says

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

inferredcites →https://doi.org/10.1002/0471224413openalex-snapshot
Reviews in Computational Chemistry
inferredcites →https://doi.org/10.1002/cbic.200400188openalex-snapshot
The Discovery of Novel Protein Kinase Inhibitors by Using Fragment‐Based High‐Throughput X‐ray Crystallography
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.340080302openalex-snapshot
Automated docking of substrates to proteins by simulated annealing
inferredcites →https://doi.org/10.1007/bf00124387openalex-snapshot
The computer program LUDI: A new method for the de novo design of enzyme inhibitors
inferredcites →https://doi.org/10.1007/s0089400060498openalex-snapshot
LigBuilder: A Multi-Purpose Program for Structure-Based Drug Design
inferredcites →https://doi.org/10.1007/s10822-009-9291-2openalex-snapshot
Second-generation de novo design: a view from a medicinal chemist perspective
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
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/10.1016/1359-6446(96)88990-2openalex-snapshot
Getting that hit: 3D database searching in drug discovery
inferredcites →https://doi.org/10.1016/j.cbpa.2010.02.010openalex-snapshot
Drugging challenging targets using fragment-based approaches
inferredcites →https://doi.org/10.1016/j.chembiol.2003.10.011openalex-snapshot
Structure-Based Discovery of Potassium Channel Blockers from Natural Products
inferredcites →https://doi.org/10.1016/j.copbio.2006.10.007openalex-snapshot
Fragment-based lead discovery: a chemical update
inferredcites →https://doi.org/10.1016/j.ddtec.2004.08.004openalex-snapshot
Scoring functions for protein–ligand interactions: a critical perspective
inferredcites →https://doi.org/10.1016/j.ddtec.2006.12.002openalex-snapshot
Advances in virtual screening
inferredcites →https://doi.org/10.1016/j.drudis.2006.05.012openalex-snapshot
Virtual ligand screening: strategies, perspectives and limitations
inferredcites →https://doi.org/10.1016/j.jmgm.2009.07.001openalex-snapshot
Rational design of Tamiflu derivatives targeting at the open conformation of neuraminidase subtype 1
inferredcites →https://doi.org/10.1016/s0022-2836(95)80037-9openalex-snapshot
Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation
inferredcites →https://doi.org/10.1016/s0031-3203(02)00060-2openalex-snapshot
The global k-means clustering algorithm
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/s0960-894x(02)00752-7openalex-snapshot
Design and synthesis of potent, orally bioavailable dihydroquinazolinone inhibitors of p38 MAP kinase
inferredcites →https://doi.org/10.1016/s0969-2126(02)00799-2openalex-snapshot
Structure-Based Discovery of a Novel, Noncovalent Inhibitor of AmpC β-Lactamase
inferredcites →https://doi.org/10.1016/s1074-5521(97)90194-0openalex-snapshot
The structural basis for the specificity of pyridinylimidazole inhibitors of p38 MAP kinase
inferredcites →https://doi.org/10.1021/ar000033jopenalex-snapshot
Calculating Structures and Free Energies of Complex Molecules: Combining Molecular Mechanics and Continuum Models
inferredcites →https://doi.org/10.1021/ci00054a008openalex-snapshot
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
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/ci049809bopenalex-snapshot
Virtual Screening of Novel Noncovalent Inhibitors for SARS-CoV 3C-like Proteinase
inferredcites →https://doi.org/10.1021/ci100036aopenalex-snapshot
Test MM-PB/SA on True Conformational Ensembles of Protein−Ligand Complexes
inferredcites →https://doi.org/10.1021/ci700257yopenalex-snapshot
Computation of Octanol−Water Partition Coefficients by Guiding an Additive Model with Knowledge
inferredcites →https://doi.org/10.1021/ci700369eopenalex-snapshot
Indirect Similarity Based Methods for Effective Scaffold-Hopping in Chemical Compounds
inferredcites →https://doi.org/10.1021/ci700418fopenalex-snapshot
Scaffold Hopping in Drug Discovery Using Inductive Logic Programming
inferredcites →https://doi.org/10.1021/ci8004429openalex-snapshot
Interpretation of the Binding Affinities of PTP1B Inhibitors with the MM-GB/SA Method and the X-Score Scoring Function
inferredcites →https://doi.org/10.1021/ci9000053openalex-snapshot
Comparative Assessment of Scoring Functions on a Diverse Test Set
inferredcites →https://doi.org/10.1021/ci900073kopenalex-snapshot
E-Novo: An Automated Workflow for Efficient Structure-Based Lead Optimization
inferredcites →https://doi.org/10.1021/ci950275bopenalex-snapshot
Chemical Similarity Using Geometric Atom Pair Descriptors
inferredcites →https://doi.org/10.1021/ci970056lopenalex-snapshot
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds
inferredcites →https://doi.org/10.1021/ci970429iopenalex-snapshot
RECAPRetrosynthetic Combinatorial Analysis Procedure: A Powerful New Technique for Identifying Privileged Molecular Fragments with Useful Applications in Combinatorial Chemistry
inferredcites →https://doi.org/10.1021/cr950066qopenalex-snapshot
Bioisosterism: A Rational Approach in Drug Design
inferredcites →https://doi.org/10.1021/jm030543uopenalex-snapshot
BREED: Generating Novel Inhibitors through Hybridization of Known Ligands. Application to CDK2, P38, and HIV Protease
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/jm048978kopenalex-snapshot
Design of Potent and Selective 2-Aminobenzimidazole-Based p38α MAP Kinase Inhibitors with Excellent in Vivo Efficacy
inferredcites →https://doi.org/10.1021/jm058056xopenalex-snapshot
Substituted 2-[(4-Aminomethyl)phenoxy]-2-methylpropionic Acid PPARα Agonists. 1. Discovery of a Novel Series of Potent HDLc Raising Agents
inferredcites →https://doi.org/10.1021/jm070750kopenalex-snapshot
Tagged Fragment Method for Evolutionary Structure-Based De Novo Lead Generation and Optimization
inferredcites →https://doi.org/10.1023/a:1016357811882openalex-snapshot
Further development and validation of empirical scoring functions for structure-based binding affinity prediction
inferredcites →https://doi.org/10.1038/nature03197openalex-snapshot
Virtual screening of chemical libraries
inferredcites →https://doi.org/10.1038/nature05114openalex-snapshot
The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design
inferredcites →https://doi.org/10.1038/nchem.217openalex-snapshot
The rise of fragment-based drug discovery
inferredcites →https://doi.org/10.1038/nrd1177openalex-snapshot
p38 MAP kinases: key signalling molecules as therapeutic targets for inflammatory diseases
inferredcites →https://doi.org/10.1038/nrd1799openalex-snapshot
Computer-based de novo design of drug-like molecules
inferredcites →https://doi.org/10.1038/nrd2615openalex-snapshot
Pseudoreceptor models in drug design: bridging ligand- and receptor-based virtual screening
inferredcites →https://doi.org/10.1038/nrd2658openalex-snapshot
BCL-2 family antagonists for cancer therapy
inferredcites →https://doi.org/10.1073/pnas.97.3.1008openalex-snapshot
Rational discovery of novel nuclear hormone receptor antagonists
inferredcites →https://doi.org/10.1074/jbc.m411434200openalex-snapshot
Solution Structure of Prosurvival Mcl-1 and Characterization of Its Binding by Proapoptotic BH3-only Ligands
inferredcites →https://doi.org/10.1074/jbc.m706110200openalex-snapshot
MCL-1 as a Buffer for Proapoptotic BCL-2 Family Members during TRAIL-induced Apoptosis
inferredcites →https://doi.org/10.1124/pr.58.4.5openalex-snapshot
International Union of Pharmacology. LXI. Peroxisome Proliferator-Activated Receptors
inferredcites →https://doi.org/10.1126/science.1096361openalex-snapshot
The Many Roles of Computation in Drug Discovery
inferredcites →https://doi.org/10.1177/1087057105281365openalex-snapshot
Using Extended-Connectivity Fingerprints with Laplacian-Modified Bayesian Analysis in High-Throughput Screening Follow-Up

What points at this work

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

inferred← citeshttps://doi.org/10.1002/med.21255openalex-snapshot
Fragment Informatics and Computational Fragment‐Based Drug Design: An Overview and Update
inferred← citeshttps://doi.org/10.1002/med.21999openalex-snapshot
B‐cell lymphoma‐2 family proteins in the crosshairs: Small molecule inhibitors and activators for cancer therapy
inferred← citeshttps://doi.org/10.1007/978-981-13-0773-7_4openalex-snapshot
Computational Methods Applicable to the Discovery of Small-Molecule Inhibitors of Protein-Protein Interactions
inferred← citeshttps://doi.org/10.1007/s00044-020-02673-7openalex-snapshot
Facile one-pot sequential synthesis of novel diaryl urea derivatives and evaluation of their in vitro cytotoxicity on adenocarcinoma cells
inferred← citeshttps://doi.org/10.1016/j.ejmech.2020.112461openalex-snapshot
Synthesis and biological evaluation of diaryl urea derivatives designed as potential anticarcinoma agents using de novo structure-based lead optimization approach
inferred← citeshttps://doi.org/10.1016/j.tips.2013.08.004openalex-snapshot
Computational methods for drug design and discovery: focus on China
inferred← citeshttps://doi.org/10.1016/j.ymeth.2017.08.010openalex-snapshot
Function and structure-based screening of compounds, peptides and proteins to identify drug candidates
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c00443openalex-snapshot
MolHyb: A Web Server for Structure-Based Drug Design by Molecular Hybridization
inferred← citeshttps://doi.org/10.1021/acs.jcim.3c00276openalex-snapshot
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search
inferred← citeshttps://doi.org/10.1021/acs.jcim.5b00691openalex-snapshot
AutoT&T v.2: An Efficient and Versatile Tool for Lead Structure Generation and Optimization
inferred← citeshttps://doi.org/10.1021/acsomega.7b01450openalex-snapshot
Selective Synthesis of (Benzyl)biphenyls by Successive Suzuki–Miyaura Coupling of Phenylboronic Acids with 4-Bromobenzyl Acetate under Air Atmosphere
inferred← citeshttps://doi.org/10.1186/s13321-020-00429-4openalex-snapshot
AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
inferred← citeshttps://doi.org/10.1186/s13321-022-00598-4openalex-snapshot
Systemic evolutionary chemical space exploration for drug discovery
inferred← citeshttps://doi.org/10.1186/s13321-025-01022-3openalex-snapshot
Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations
inferred← citeshttps://doi.org/10.3389/fphar.2025.1656012openalex-snapshot
Strategies for the drug development of cancer therapeutics
inferred← citeshttps://doi.org/10.6084/m9.figshare.19498414openalex-snapshot
Additional file 1 of Systemic evolutionary chemical space exploration for drug discovery
inferred← citeshttps://doi.org/10.6084/m9.figshare.19498417openalex-snapshot
Additional file 2 of Systemic evolutionary chemical space exploration for drug discovery
inferred← citeshttps://doi.org/10.6084/m9.figshare.19498420openalex-snapshot
Additional file 3 of Systemic evolutionary chemical space exploration for drug discovery
inferred← citeshttps://doi.org/10.6084/m9.figshare.19498423openalex-snapshot
Additional file 4 of Systemic evolutionary chemical space exploration for drug discovery
inferred← citeshttps://doi.org/10.70675/d040b5b4zd926z4f6ez9870z7af586f801abopenalex-snapshot
Deep generative neural networks for novelty generation : a foundational framework, metrics and experiments
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