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Evolutionary algorithms in computer-aided molecular design
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Conformational searching methods for small molecules. III. Study of stochastic methods available in SYBYL and MACROMODEL
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Towards meeting the paracelsus challenge: The design, synthesis, and characterization of paracelsin-43, an α-helical protein with over 50% sequence identity to an all-β protein
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Measurement of soluble thrombomodulin in sera from various clinical stages of diabetic nephropathy
inferredcites →https://doi.org/10.1002/(sici)1099-0526(199703/04)2:4<28::aid-cplx7>3.0.co;2-2openalex-snapshot
Evolutionary computation: Toward a new philosophy of machine intelligence
inferredcites →https://doi.org/10.1002/(sici)1099-128x(199603)10:2<119::aid-cem409>3.0.co;2-4openalex-snapshot
Evolutionary variable selection in regression and PLS analyses
inferredcites →https://doi.org/10.1002/9780470125847.ch2openalex-snapshot
Three‐Dimensional Structure Database Searches
inferredcites →https://doi.org/10.1002/anie.199411891openalex-snapshot
The Determination of Maximum Common Substructures by a Genetic Algorithm: Application in Synthesis Design and for the Structural Analysis of Biological Activity
inferredcites →https://doi.org/10.1002/anie.199522801openalex-snapshot
Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm
inferredcites →https://doi.org/10.1002/anie.199526741openalex-snapshot
Assessing Similarity and Diversity of Combinatorial Libraries by Spatial Autocorrelation Functions and Neural Networks
inferredcites →https://doi.org/10.1002/bip.360260114openalex-snapshot
Prediction of the folding of short polypeptide segments by uniform conformational sampling
inferredcites →https://doi.org/10.1002/bip.360320107openalex-snapshot
Conformational analysis of a dinucleotide photodimer with the aid of the genetic algorithm
inferredcites →https://doi.org/10.1002/bip.360330204openalex-snapshot
Approximation and characterization of molecular surfaces
inferredcites →https://doi.org/10.1002/cem.1180080107openalex-snapshot
Application of a genetic algorithm to feature selection under full validation conditions and to outlier detection
inferredcites →https://doi.org/10.1002/ijch.199400028openalex-snapshot
Conformational Sampling of Loop Structures Using Genetic Algorithms
inferredcites →https://doi.org/10.1002/jcc.540040211openalex-snapshot
CHARMM : A program for macromolecular energy, minimization, and dynamics calculations
inferredcites →https://doi.org/10.1002/jcc.540070216openalex-snapshot
An all atom force field for simulations of proteins and nucleic acids
inferredcites →https://doi.org/10.1002/jcc.540110405openalex-snapshot
Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics
inferredcites →https://doi.org/10.1002/jcc.540140705openalex-snapshot
A critical comparison of search algorithms applied to the optimization of protein side‐chain conformations
inferredcites →https://doi.org/10.1002/jcc.540140907openalex-snapshot
Conformational searching methods for small molecules. I. Study of the sybyl search method
inferredcites →https://doi.org/10.1002/jcc.540141115openalex-snapshot
Analysis of the genetic algorithm method of molecular conformation determination
inferredcites →https://doi.org/10.1002/jcc.540141117openalex-snapshot
Conformational searching methods for small molecules. II. Genetic algorithm approach
inferredcites →https://doi.org/10.1002/jcc.540150604openalex-snapshot
Application of genetic algorithms in molecular modeling
inferredcites →https://doi.org/10.1002/jcc.540160609openalex-snapshot
Genetic algorithms: A robust scheme for geometry optimizations and global minimum structure problems
inferredcites →https://doi.org/10.1002/jcc.540161004openalex-snapshot
Flexible ligand docking without parameter adjustment across four ligand–receptor complexes
inferredcites →https://doi.org/10.1002/jcc.540161109openalex-snapshot
Docking flexible molecules: A case study of three proteins
inferredcites →https://doi.org/10.1002/jcc.540161112openalex-snapshot
Energy minimization of peptide analogues using genetic algorithms
inferredcites →https://doi.org/10.1002/pro.5560020508openalex-snapshot
Reduced representation model of protein structure prediction: Statistical potential and genetic algorithms
inferredcites →https://doi.org/10.1002/pro.5560030405openalex-snapshot
De novo protein design using pairwise potentials and a genetic algorithm
inferredcites →https://doi.org/10.1002/pro.5560041006openalex-snapshot
De novo design of the hydrophobic cores of proteins
inferredcites →https://doi.org/10.1002/prot.340230109openalex-snapshot
Local moves: An efficient algorithm for simulation of protein folding
inferredcites →https://doi.org/10.1002/prot.340230319openalex-snapshot
Ab initio structure prediction for small polypeptides and protein fragments using genetic algorithms
inferredcites →https://doi.org/10.1002/qsar.19940130306openalex-snapshot
Variable Selection in QSAR Studies. I. An Evolutionary Algorithm
inferredcites →https://doi.org/10.1002/qsar.19940130403openalex-snapshot
Variable Selection in QSAR Studies. II. A Highly Efficient Combination of Systematic Search and Evolution
inferredcites →https://doi.org/10.1002/qsar.19950140602openalex-snapshot
A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases
inferredcites →https://doi.org/10.1002/qua.560440214openalex-snapshot
Do intelligent configuration search techniques outperform random search for large molecules?
inferredcites →https://doi.org/10.1006/jmbi.1993.1258openalex-snapshot
Genetic Algorithms for Protein Folding Simulations
inferredcites →https://doi.org/10.1006/jmbi.1994.1193openalex-snapshot
Folding the Main Chain of Small Proteins with the Genetic Algorithm
inferredcites →https://doi.org/10.1006/jmbi.1995.0356openalex-snapshot
The Computer Simulation of RNA Folding Pathways Using a Genetic Algorithm
inferredcites →https://doi.org/10.1006/jmbi.1996.0115openalex-snapshot
Identifying the Tertiary Fold of Small Proteins with Different Topologies from Sequence and Secondary Structure using the Genetic Algorithm and Extended Criteria Specific for Strand Regions
inferredcites →https://doi.org/10.1006/jtbi.1995.0074openalex-snapshot
Search strategies for applied molecular evolution
inferredcites →https://doi.org/10.1006/jtbi.1995.0098openalex-snapshot
An APL-programmed genetic algorithm for the prediction of RNA secondary structure
inferredcites →https://doi.org/10.1007/978-3-662-02830-8openalex-snapshot
Genetic Algorithms + Data Structures = Evolution Programs
inferredcites →https://doi.org/10.1007/978-3-662-07418-3openalex-snapshot
Genetic Algorithms + Data Structures = Evolution Programs
inferredcites →https://doi.org/10.1007/978-94-011-1472-1_98openalex-snapshot
Flexible docking of ligands to receptor sites using genetic algorithms
inferredcites →https://doi.org/10.1007/bf00117275openalex-snapshot
PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules
inferredcites →https://doi.org/10.1007/bf00123998openalex-snapshot
Enhancing the diversity of a corporate database using chemical database clustering and analysis
inferredcites →https://doi.org/10.1007/bf00123999openalex-snapshot
Characterising the geometric diversity of functional groups in chemical databases
inferredcites →https://doi.org/10.1007/bf00124318openalex-snapshot
A pseudoreceptor modelling study of the varicella-zoster virus and human thymidine kinase binding sites
inferredcites →https://doi.org/10.1007/bf00124324openalex-snapshot
A genetic algorithm for flexible molecular overlay and pharmacophore elucidation
inferredcites →https://doi.org/10.1007/bf00124360openalex-snapshot
A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor
inferredcites →https://doi.org/10.1007/bf00124402openalex-snapshot
Flexible ligand docking using a genetic algorithm
inferredcites →https://doi.org/10.1007/bf00124404openalex-snapshot
PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement
inferredcites →https://doi.org/10.1007/bf00124408openalex-snapshot
A genetic algorithm for the automated generation of molecules within constraints
inferredcites →https://doi.org/10.1007/bf00128336openalex-snapshot
MOPAC: A semiempirical molecular orbital program
inferredcites →https://doi.org/10.1007/bf00141577openalex-snapshot
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
inferredcites →https://doi.org/10.1007/bf00199469openalex-snapshot
Genetic algorithm with local optimization
inferredcites →https://doi.org/10.1007/bf00201426openalex-snapshot
Development of simple fitness landscapes for peptides by artificial neural filter systems
inferredcites →https://doi.org/10.1007/bf00325562openalex-snapshot
Evolutionary determination of physico-chemical parameters and concentrations of analytes from titration data
inferredcites →https://doi.org/10.1007/bf00417490openalex-snapshot
A genetic algorithm-based protocol for docking ensembles of small ligands using experimental restraints
inferredcites →https://doi.org/10.1007/bf00652221openalex-snapshot
Evolutionary optimization in multimodal search space
inferredcites →https://doi.org/10.1007/bf01100239openalex-snapshot
The application of the genetic algorithm to the minimization of potential energy functions
inferredcites →https://doi.org/10.1007/bf01680553openalex-snapshot
A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies
inferredcites →https://doi.org/10.1007/bf02174531openalex-snapshot
A good ligand is hard to find: Automated docking methods
inferredcites →https://doi.org/10.1007/bf02263843openalex-snapshot
Modelling chromatographic behaviour as a function of pH and solvent composition in RPLC
inferredcites →https://doi.org/10.1007/bf02460703openalex-snapshot
Finding the lowest free energy conformation of a protein is an NP-hard problem: Proof and implications
inferredcites →https://doi.org/10.1007/bfb0029723openalex-snapshot
Parallel Problem Solving from Nature
inferredcites →https://doi.org/10.1016/0003-2670(93)80130-dopenalex-snapshot
On k-medoid clustering of large data sets with the aid of a genetic algorithm: background, feasiblity and comparison
inferredcites →https://doi.org/10.1016/0003-2670(94)80155-xopenalex-snapshot
Genetic algorithms in wavelength selection: a comparative study
inferredcites →https://doi.org/10.1016/0003-2670(95)00383-bopenalex-snapshot
Determination of stability constants using genetic algorithms
inferredcites →https://doi.org/10.1016/0009-2614(93)89256-hopenalex-snapshot
Genetic algorithm: a new approach to the prediction of the structure of molecular clusters
inferredcites →https://doi.org/10.1016/0009-2614(94)01450-aopenalex-snapshot
Parameterization of NDDO wavefunctions using genetic algorithms. An evolutionary approach to parameterizing potential energy surfaces and direct dynamics calculations for organic reactions
inferredcites →https://doi.org/10.1016/0009-2614(95)00587-topenalex-snapshot
Global geometry optimization of clusters using a growth strategy optimized by a genetic algorithm
inferredcites →https://doi.org/10.1016/0022-2836(70)90057-4openalex-snapshot
A general method applicable to the search for similarities in the amino acid sequence of two proteins
inferredcites →https://doi.org/10.1016/0022-2836(82)90153-xopenalex-snapshot
A geometric approach to macromolecule-ligand interactions
inferredcites →https://doi.org/10.1016/0022-2836(89)90084-3openalex-snapshot
Protein structure alignment
inferredcites →https://doi.org/10.1016/0022-2836(92)90553-vopenalex-snapshot
Taxonomy and conformational analysis of loops in proteins
inferredcites →https://doi.org/10.1016/0040-4020(95)00467-mopenalex-snapshot
Combinatorial synthesis — the design of compound libraries and their application to drug discovery
inferredcites →https://doi.org/10.1016/0097-8485(94)85006-2openalex-snapshot
Gates towards evolutionary large-scale optimization: A software-oriented approach to genetic algorithms—I. General perspective
inferredcites →https://doi.org/10.1016/0097-8485(94)85007-0openalex-snapshot
Gates towards evolutionary large-scale optimization: A software-oriented approach to genetic algorithms—II. Toolbox description
inferredcites →https://doi.org/10.1016/0097-8485(94)85012-7openalex-snapshot
Game: Genetic algorithm for minimization of energy, an interactive program for three-dimensional intermolecular interactions
inferredcites →https://doi.org/10.1016/0141-8130(95)01036-xopenalex-snapshot
Ab initio tertiary-fold prediction of helical and non-helical protein chains using a genetic algorithm
inferredcites →https://doi.org/10.1016/0166-1280(94)80102-9openalex-snapshot
A genetic algorithm based method for docking flexible molecules
inferredcites →https://doi.org/10.1016/0169-7439(93)80019-eopenalex-snapshot
Generation and display of chemical structures by genetic algorithms
inferredcites →https://doi.org/10.1016/0169-7439(93)80028-gopenalex-snapshot
Genetic algorithms in chemistry
inferredcites →https://doi.org/10.1016/0169-7439(93)80033-eopenalex-snapshot
CFIT: a genetic algorithm for survival of the fitting
inferredcites →https://doi.org/10.1016/0169-7439(93)80079-wopenalex-snapshot
Understanding and using genetic algorithms Part 1. Concepts, properties and context
inferredcites →https://doi.org/10.1016/0169-7439(93)80080-2openalex-snapshot
Reference data sets for chemometrical methods testing
inferredcites →https://doi.org/10.1016/0169-7439(93)80091-uopenalex-snapshot
Norwegian Chemometrics Award 1993
inferredcites →https://doi.org/10.1016/0169-7439(94)00083-uopenalex-snapshot
Spectral curve fitting of infrared spectra obtained from semi-crystalline polyester yarns
inferredcites →https://doi.org/10.1016/0169-7439(94)85038-0openalex-snapshot
Understanding and using genetic algorithms Part 2. Representation, configuration and hybridization
inferredcites →https://doi.org/10.1016/0169-7439(95)00010-topenalex-snapshot
Robust regression and outlier detection for non-linear models using genetic algorithms
inferredcites →https://doi.org/10.1016/0169-7439(95)00041-0openalex-snapshot
A comparison of neural networks, non-linear biased regression and a genetic algorithm for dynamic model identification
inferredcites →https://doi.org/10.1016/0263-7855(87)80045-0openalex-snapshot
Pharmacophoric pattern matching in files of 3D chemical structures: comparison of geometric searching algorithms
inferredcites →https://doi.org/10.1016/0263-7855(93)80005-copenalex-snapshot
Meeting on binding sites: characterizing and satisfying steric and chemical restraints. University of York, 28–30 March 1993
inferredcites →https://doi.org/10.1016/0263-7855(93)87001-lopenalex-snapshot
Molecular recognition using a binary genetic search algorithm
inferredcites →https://doi.org/10.1016/0263-7855(96)00031-8openalex-snapshot
Reviews in computational chemistry, vol. 7
inferredcites →https://doi.org/10.1016/0301-4622(94)00130-copenalex-snapshot
A genetic algorithm to search for optimal and suboptimal RNA secondary structures
inferredcites →https://doi.org/10.1016/0301-4622(95)00119-0openalex-snapshot
A graph-topological approach to recognition of pattern and similarity in RNA secondary structures
inferredcites →https://doi.org/10.1016/0301-4622(95)00120-4openalex-snapshot
New approaches in molecular structure prediction
inferredcites →https://doi.org/10.1016/0301-4622(95)00126-3openalex-snapshot
Recent developments in the theory of protein folding: searching for the global energy minimum
inferredcites →https://doi.org/10.1016/0303-2647(94)90040-xopenalex-snapshot
On the effectiveness of crossover in simulated evolutionary optimization
inferredcites →https://doi.org/10.1016/0303-2647(95)01534-ropenalex-snapshot
A comparison of methods for self-adaptation in evolutionary algorithms
inferredcites →https://doi.org/10.1016/0303-2647(95)01564-7openalex-snapshot
Hybrid evolutionary programming for heavily constrained problems
inferredcites →https://doi.org/10.1016/0958-1669(95)80107-3openalex-snapshot
Docking small-molecule ligands into active sites
inferredcites →https://doi.org/10.1016/0959-440x(95)80060-3openalex-snapshot
Automated analysis of nuclear magnetic resonance assignments for proteins
inferredcites →https://doi.org/10.1016/0959-440x(95)80080-8openalex-snapshot
Ligand—protein docking and rational drug design
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)89091-xopenalex-snapshot
New perspectives in lead generation II: Evaluating molecular diversity
inferredcites →https://doi.org/10.1016/s0006-3495(94)80782-9openalex-snapshot
The rational design of amino acid sequences by artificial neural networks and simulated molecular evolution: de novo design of an idealized leader peptidase cleavage site
inferredcites →https://doi.org/10.1016/s0006-3495(95)79906-4openalex-snapshot
A genetic algorithm that seeks native states of peptides and proteins
inferredcites →https://doi.org/10.1016/s0006-3495(95)80205-5openalex-snapshot
Peptide design in machina: development of artificial mitochondrial protein precursor cleavage sites by simulated molecular evolution
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/s0167-7799(00)89015-0openalex-snapshot
Genetic algorithms in molecular recognition and design
inferredcites →https://doi.org/10.1016/s0262-1762(99)80760-3openalex-snapshot
Flexible couplings cut energy bills
inferredcites →https://doi.org/10.1016/s0959-440x(96)80079-0openalex-snapshot
Genetic algorithms for protein structure prediction
inferredcites →https://doi.org/10.1016/s1074-5521(96)90256-2openalex-snapshot
Predicting the structure of protein complexes: a step in the right direction
inferredcites →https://doi.org/10.1021/ac00073a006openalex-snapshot
Curve fitting using natural computation
inferredcites →https://doi.org/10.1021/ac00119a015openalex-snapshot
Genetic Algorithms as a Tool for Wavelength Selection in Multivariate Calibration
inferredcites →https://doi.org/10.1021/ar950170uopenalex-snapshot
Strategy and Tactics in Combinatorial Organic Synthesis. Applications to Drug Discovery
inferredcites →https://doi.org/10.1021/bi00230a003openalex-snapshot
An analysis of protein folding pathways
inferredcites →https://doi.org/10.1021/ci00002a004openalex-snapshot
The development of versions 3 and 4 of the Cambridge Structural Database System
inferredcites →https://doi.org/10.1021/ci00009a020openalex-snapshot
Hyperstructure model for chemical structure handling: generation and atom-by-atom searching of hyperstructures
inferredcites →https://doi.org/10.1021/ci00010a024openalex-snapshot
Application of genetic algorithms in the field of constitutional similarity
inferredcites →https://doi.org/10.1021/ci00012a010openalex-snapshot
Sequential assignment of 2D-NMR spectra of proteins using genetic algorithms
inferredcites →https://doi.org/10.1021/ci00017a006openalex-snapshot
Hyperstructure model for chemical structure handling: Techniques for substructure searching
inferredcites →https://doi.org/10.1021/ci00017a008openalex-snapshot
Matching two-dimensional chemical graphs using genetic algorithms
inferredcites →https://doi.org/10.1021/ci00017a025openalex-snapshot
Flexible 3D searching: The directed tweak technique
inferredcites →https://doi.org/10.1021/ci00017a026openalex-snapshot
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching
inferredcites →https://doi.org/10.1021/ci00020a020openalex-snapshot
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
inferredcites →https://doi.org/10.1021/ci00022a009openalex-snapshot
Evolutionary Programming Applied to the Development of Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
inferredcites →https://doi.org/10.1021/ci00024a003openalex-snapshot
Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm
inferredcites →https://doi.org/10.1021/ci00024a021openalex-snapshot
Using a Genetic Algorithm To Suggest Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci00027a020openalex-snapshot
PRO_LIGAND: An Approach to de Novo Molecular Design. 5. Tools for the Analysis of Generated Structures
inferredcites →https://doi.org/10.1021/ci00028a017openalex-snapshot
Estimate of Donor and Acceptor Sites Using Alternating Polarity Principle. Application to Pyridine Ring Construction
inferredcites →https://doi.org/10.1021/ci00056a002openalex-snapshot
Algorithms for the identification of three-dimensional maximal common substructures
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci00062a008openalex-snapshot
SMILES. 2. Algorithm for generation of unique SMILES notation
inferredcites →https://doi.org/10.1021/ci9500851openalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferredcites →https://doi.org/10.1021/ci950106ropenalex-snapshot
A Parallel Genetic Algorithm for Polypeptide Three Dimensional Structure Prediction. A Transputer Implementation
inferredcites →https://doi.org/10.1021/ci950273ropenalex-snapshot
Identification of Common Functional Configurations Among Molecules
inferredcites →https://doi.org/10.1021/cr9402081openalex-snapshot
Synthesis and Applications of Small Molecule Libraries
inferredcites →https://doi.org/10.1021/j100053a053openalex-snapshot
Hierarchical algorithm for computer modeling of protein tertiary structure: folding of myoglobin to 6.2 .ANG. resolution
inferredcites →https://doi.org/10.1021/j100080a015openalex-snapshot
Genetic algorithms for docking of actinomycin D and deoxyguanosine molecules with comparison to the crystal structure of actinomycin D-deoxyguanosine complex
inferredcites →https://doi.org/10.1021/j100141a013openalex-snapshot
Global geometry optimization of clusters using genetic algorithms
inferredcites →https://doi.org/10.1021/ja00121a023openalex-snapshot
Determination of Pharmacophoric Geometry for Collagenase Inhibitors Using a Novel Computational Method and Its Verification Using Molecular Dynamics, NMR, and X-ray Crystallography
inferredcites →https://doi.org/10.1021/ja00122a030openalex-snapshot
Pseudoreceptor Modeling: The Construction of Three-Dimensional Receptor Surrogates
inferredcites →https://doi.org/10.1021/ja00315a051openalex-snapshot
A new force field for molecular mechanical simulation of nucleic acids and proteins
inferredcites →https://doi.org/10.1021/ja953172iopenalex-snapshot
Application of Genetic Algorithms to Combinatorial Synthesis: A Computational Approach to Lead Identification and Lead Optimization,
inferredcites →https://doi.org/10.1021/jm00009a003openalex-snapshot
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/jm00012a007openalex-snapshot
Receptor Surface Models. 1. Definition and Construction
inferredcites →https://doi.org/10.1021/jm00012a008openalex-snapshot
Receptor Surface Models. 2. Application to Quantitative Structure-Activity Relationships Studies
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/10.1021/jm00042a006openalex-snapshot
Genetically Evolved Receptor Models: A Computational Approach to Construction of Receptor Models
inferredcites →https://doi.org/10.1021/jm00156a005openalex-snapshot
The ensemble approach to distance geometry: application to the nicotinic pharmacophore
inferredcites →https://doi.org/10.1021/jm00163a023openalex-snapshot
Structure-activity relationships of antifilarial antimycin analogs: a multivariate pattern recognition study
inferredcites →https://doi.org/10.1021/jm9507035openalex-snapshot
Evolutionary Optimization in Quantitative Structure−Activity Relationship: An Application of Genetic Neural Networks
inferredcites →https://doi.org/10.1021/jp9524643openalex-snapshot
Minimizing Reduced-Model Proteins Using a Generalized Hierarchical Table-Lookup Potential Function
inferredcites →https://doi.org/10.1021/jp9532529openalex-snapshot
Mössbauer Spectroscopy of the Spin-Coupled Fe3+−Fe2+ Center of Reduced Uteroferrin
inferredcites →https://doi.org/10.1021/ma00154a069openalex-snapshot
Chain closure with bond angle variations
inferredcites →https://doi.org/10.1038/nsb0396-233openalex-snapshot
Molecular docking programs successfully predict the binding of a β-lactamase inhibitory protein to TEM-1 β-lactamase
inferredcites →https://doi.org/10.1039/c39940000047openalex-snapshot
Tryptophan anion complexes of β-cyclodextrin (cyclomaltaheptaose), an aminopropylamino-β-cyclodextrin and its enantioselective nickel( II ) complex
inferredcites →https://doi.org/10.1063/1.470990openalex-snapshot
Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm
inferredcites →https://doi.org/10.1073/pnas.70.3.697openalex-snapshot
Nucleation, Rapid Folding, and Globular Intrachain Regions in Proteins
inferredcites →https://doi.org/10.1073/pnas.91.10.4436openalex-snapshot
An evolutionary approach to folding small alpha-helical proteins that uses sequence information and an empirical guiding fitness function.
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Optimal sequence selection in proteins of known structure by simulated evolution.
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Adaptation in Natural and Artificial Systems
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