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The measurement of molecular diversity: A three-dimensional approach
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Enhancing the diversity of a corporate database using chemical database clustering and analysis
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Characterising the geometric diversity of functional groups in chemical databases
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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/10.1016/s0065-3233(08)60376-9openalex-snapshot
Weakly Polar Interactions In Proteins
inferredcites →https://doi.org/10.1021/bi00104a017openalex-snapshot
Extracting hydrophobic free energies from experimental data: relationship to protein folding and theoretical models
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Contribution of hydrogen bonding to the conformational stability of ribonuclease T1
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Rapid evaluation of shape similarity using Gaussian functions
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Global energy minimization by rotational energy embedding
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An internal-coordinate Monte Carlo method for searching conformational space
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Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm00008a008openalex-snapshot
Quantitative Binding Site Model Generation: Compass Applied to Multiple Chemotypes Targeting the 5-HT1A Receptor
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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/jm00035a001openalex-snapshot
Applications of Combinatorial Technologies to Drug Discovery. 1. Background and Peptide Combinatorial Libraries
inferredcites →https://doi.org/10.1021/jm00036a001openalex-snapshot
Applications of Combinatorial Technologies to Drug Discovery. 2. Combinatorial Organic Synthesis, Library Screening Strategies, and Future Directions
inferredcites →https://doi.org/10.1073/pnas.90.4.1172openalex-snapshot
Toward an estimation of binding constants in aqueous solution: studies of associations of vancomycin group antibiotics.
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/(sici)1099-128x(199711/12)11:6<511::aid-cem488>3.0.co;2-wopenalex-snapshot
Multiway calibration in 3D QSAR
inferred← citeshttps://doi.org/10.1002/0470845015.cda027openalex-snapshot
High‐throughput ‘Virtual’ Chemistry
inferred← citeshttps://doi.org/10.1002/0470845015.cma020fopenalex-snapshot
Diversity of Chemical Libraries
inferred← citeshttps://doi.org/10.1002/9780470125939.ch1openalex-snapshot
Computer‐Aided Molecular Diversity Analysis and Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/9781444325263.ch4openalex-snapshot
Drug Discovery: Design and Development
inferred← citeshttps://doi.org/10.1002/9783527613083.ch12openalex-snapshot
The Measurement of Molecular Diversity
inferred← citeshttps://doi.org/10.1002/9783527613502.ch13openalex-snapshot
Design and Diversity Analysis of Compound Libraries for Lead Discovery
inferred← citeshttps://doi.org/10.1007/0-306-46857-3_12openalex-snapshot
Bioisosterism and Molecular Diversity
inferred← citeshttps://doi.org/10.1007/0-306-46857-3_17openalex-snapshot
Explicit Calculation of 3D Molecular Similarity
inferred← citeshttps://doi.org/10.1007/0-306-46873-5openalex-snapshot
Molecular Diversity in Drug Design
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_10openalex-snapshot
The Design of Small- and Medium-sized Focused Combinatorial Libraries
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_3openalex-snapshot
Background Theory of Molecular Diversity
inferred← citeshttps://doi.org/10.1007/978-1-4615-4141-7_105openalex-snapshot
Moldivs — A New Program for Molecular Similarity and Diversity Calculations
inferred← citeshttps://doi.org/10.1007/978-3-0348-8817-2_20openalex-snapshot
Computer modeling of protein, nucleic acid, and drug structures
inferred← citeshttps://doi.org/10.1007/978-94-017-0735-0_9openalex-snapshot
Advances in diversity profiling and combinatorial series design
inferred← citeshttps://doi.org/10.1007/bf01544958openalex-snapshot
Synthetic library techniques: Subjective (biased and generic) thoughts and views
inferred← citeshttps://doi.org/10.1007/bf03380178openalex-snapshot
Computational tools for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1007/bf03380180openalex-snapshot
Descriptors for diversity analysis
inferred← citeshttps://doi.org/10.1007/s10822-007-9119-xopenalex-snapshot
Ligand design by a combinatorial approach based on modeling and experiment: application to HLA-DR4
inferred← citeshttps://doi.org/10.1016/s0065-7743(08)60590-4openalex-snapshot
Chapter 28. Recent Developments in Molecular Diversity: Computational Approaches to Combinatorial Chemistry
inferred← citeshttps://doi.org/10.1016/s0079-6468(08)70046-8openalex-snapshot
3 Combinatorial Chemistry as a Tool for Drug Discovery
inferred← citeshttps://doi.org/10.1016/s0149-6395(01)80004-0openalex-snapshot
Combinatorial chemistry and high-throughput screening in drug discovery and development
inferred← citeshttps://doi.org/10.1016/s0165-7208(02)80014-9openalex-snapshot
Computational methods for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1016/s0169-7439(98)00082-3openalex-snapshot
Combinatorial chemistry for the generation of molecular diversity and the discovery of bioactive leads
inferred← citeshttps://doi.org/10.1016/s0169-7439(99)00010-6openalex-snapshot
Approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1016/s1359-6446(97)01163-xopenalex-snapshot
Virtual screening—an overview
inferred← citeshttps://doi.org/10.1016/s1367-5931(97)80108-1openalex-snapshot
Computational approaches for combinatorial library design and molecular diversity analysis
inferred← citeshttps://doi.org/10.1016/s1367-5931(98)80012-4openalex-snapshot
Computational methods in molecular diversity and combinatorial chemistry
inferred← citeshttps://doi.org/10.1021/ci000313dopenalex-snapshot
Design and Prioritization of Plates for High-Throughput Screening
inferred← citeshttps://doi.org/10.1021/ci980105+openalex-snapshot
Bioactive Diversity and Screening Library Selection via Affinity Fingerprinting
inferred← citeshttps://doi.org/10.1021/ci980138popenalex-snapshot
Design and Diversity Analysis of Large Combinatorial Libraries Using Cell-Based Methods
inferred← citeshttps://doi.org/10.1023/a:1008023429373openalex-snapshot
The measurement of molecular diversity by receptor site interaction simulation
inferred← citeshttps://doi.org/10.1023/a:1008061017938openalex-snapshot
Investigation of classification methods for the prediction of activity in diverse chemical libraries
inferred← citeshttps://doi.org/10.1023/a:1009636310640openalex-snapshot
Advances in diversity profiling and combinatorial series design
inferred← citeshttps://doi.org/10.1023/a:1009683618729openalex-snapshot
Comparative conformational analysis of peptide libraries
inferred← citeshttps://doi.org/10.1023/a:1011326914800openalex-snapshot
Comments on the design of chemical libraries for screening
inferred← citeshttps://doi.org/10.1023/a:1020837112154openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1021320124615openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1027280526177openalex-snapshot
Excplicit calculation of 3D molecular similarity
inferred← citeshttps://doi.org/10.1070/rc1999v068n06abeh000425openalex-snapshot
Molecular structure descriptors in the computer-aided design of biologically active compounds
inferred← citeshttps://doi.org/10.3855/jidc.11395openalex-snapshot
Antimicrobial resistance and molecular characterization of Streptococcus agalactiae from pregnant women in southern China
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