Evolutionary algorithms in computer-aided molecular design
暂无分享,去创建一个
[1] M. C. Mehra,et al. Ion chromatographic determination of ionic analytes with benzenedisulfonic acid eluents using indirect ultraviolet detection , 1996 .
[2] Barry Robson,et al. PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement , 1995, J. Comput. Aided Mol. Des..
[3] Desire L. Massart,et al. Reference data sets for chemometrical methods testing , 1993 .
[4] Yong L. Xiao,et al. Genetic algorithm: a new approach to the prediction of the structure of molecular clusters , 1993 .
[5] Robert E. Bruccoleri,et al. Chain closure with bond angle variations , 1985 .
[6] Peter Willett,et al. Algorithms for the identification of three-dimensional maximal common substructures , 1987, J. Chem. Inf. Comput. Sci..
[7] T. Lybrand. Ligand-protein docking and rational drug design. , 1995, Current opinion in structural biology.
[8] R Unger,et al. Genetic algorithms for protein folding simulations. , 1992, Journal of molecular biology.
[9] Vanderlaan,et al. EVOLUTIONARY PROGRAMMING IV , 1995 .
[10] D. Walters,et al. Genetically evolved receptor models: a computational approach to construction of receptor models. , 1994, Journal of medicinal chemistry.
[11] John H. Holland,et al. Adaptation in Natural and Artificial Systems: An Introductory Analysis with Applications to Biology, Control, and Artificial Intelligence , 1992 .
[12] S. Kauffman,et al. Search strategies for applied molecular evolution. , 1995, Journal of theoretical biology.
[13] Guido Sello,et al. Estimate of Donor and Acceptor Sites Using Alternating Polarity Principle. Application to Pyridine Ring Construction , 1995, J. Chem. Inf. Comput. Sci..
[14] Eric Fontain,et al. Application of genetic algorithms in the field of constitutional similarity , 1992, J. Chem. Inf. Comput. Sci..
[15] Andrew Smellie,et al. Identification of Common Functional Configurations Among Molecules , 1996, J. Chem. Inf. Comput. Sci..
[16] Donald G. Truhlar,et al. Parameterization of NDDO wavefunctions using genetic algorithms. An evolutionary approach to parameterizing potential energy surfaces and direct dynamics calculations for organic reactions , 1995 .
[17] H A Scheraga,et al. Recent developments in the theory of protein folding: searching for the global energy minimum. , 1996, Biophysical chemistry.
[18] P Argos,et al. 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. , 1996, Journal of molecular biology.
[19] Brian T. Luke,et al. Evolutionary Programming Applied to the Development of Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships , 1994, J. Chem. Inf. Comput. Sci..
[20] Gareth Jones,et al. Hyperstructure model for chemical structure handling: Techniques for substructure searching , 1994, J. Chem. Inf. Comput. Sci..
[21] Yong L. Xiao,et al. Genetic algorithms for docking of actinomycin D and deoxyguanosine molecules with comparison to the crystal structure of actinomycin D-deoxyguanosine complex , 1994 .
[22] David T. Jones,et al. 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 , 1996 .
[23] David T. Jones,et al. De novo protein design using pairwise potentials and a genetic algorithm , 1994, Protein science : a publication of the Protein Society.
[24] Jordi Mestres,et al. Genetic algorithms: A robust scheme for geometry optimizations and global minimum structure problems , 1995, J. Comput. Chem..
[25] F. Cohen,et al. Taxonomy and conformational analysis of loops in proteins. , 1992, Journal of molecular biology.
[26] Edward P. Jaeger,et al. Conformational searching methods for small molecules. III. Study of stochastic methods available in SYBYL and MACROMODEL , 1996, J. Comput. Chem..
[27] T Slater,et al. Meeting on binding sites: characterizing and satisfying steric and chemical restraints. University of York, 28-30 March 1993. , 1993, Journal of molecular graphics.
[28] P Willett,et al. Docking small-molecule ligands into active sites. , 1995, Current opinion in biotechnology.
[29] David Weininger,et al. SMILES. 2. Algorithm for generation of unique SMILES notation , 1989, J. Chem. Inf. Comput. Sci..
[30] Scott M. Le Grand,et al. The Genetic Algorithm and the Conformational Search of Polypeptides and Proteins , 1994 .
[31] R. Unger,et al. Finding the lowest free energy conformation of a protein is an NP-hard problem: proof and implications. , 1993, Bulletin of mathematical biology.
[32] D C Spellmeyer,et al. Measuring diversity: experimental design of combinatorial libraries for drug discovery. , 1995, Journal of medicinal chemistry.
[33] Gareth Jones,et al. A genetic algorithm for flexible molecular overlay and pharmacophore elucidation , 1995, J. Comput. Aided Mol. Des..
[34] Tad Hurst,et al. Flexible 3D searching: The directed tweak technique , 1994, J. Chem. Inf. Comput. Sci..
[35] R C Glen,et al. Characterisation of the solution conformation of a cyclic RGD peptide analogue by NMR spectroscopy allied with a genetic algorithm approach and constrained molecular dynamics. , 2009, International journal of peptide and protein research.
[36] James J. P. Stewart,et al. MOPAC: A semiempirical molecular orbital program , 1990, J. Comput. Aided Mol. Des..
[37] Lawrence. Davis,et al. Handbook Of Genetic Algorithms , 1990 .
[38] J. Cherfils,et al. Molecular docking programs successfully predict the binding of a β-lactamase inhibitory protein to TEM-1 β-lactamase , 1996, Nature Structural Biology.
[39] Klaus Gubernator,et al. Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm , 1995 .
[40] P. Kollman,et al. An all atom force field for simulations of proteins and nucleic acids , 1986, Journal of computational chemistry.
[41] Lawrence J. Fogel,et al. Artificial Intelligence through Simulated Evolution , 1966 .
[42] John H. Holland,et al. Adaptation in Natural and Artificial Systems: An Introductory Analysis with Applications to Biology, Control, and Artificial Intelligence , 1992 .
[43] D. Rogers,et al. Receptor surface models. 2. Application to quantitative structure-activity relationships studies. , 1995, Journal of medicinal chemistry.
[44] D. Fogel,et al. A comparison of methods for self-adaptation in evolutionary algorithms. , 1995, Bio Systems.
[45] J. Scott Dixon,et al. A good ligand is hard to find: Automated docking methods , 1993 .
[46] C. B. Lucasius,et al. Understanding and using genetic algorithms Part 2. Representation, configuration and hybridization , 1994 .
[47] A. Treasurywala,et al. A genetic algorithm based method for docking flexible molecules , 1994 .
[48] Robert C. Glen,et al. A genetic algorithm for the automated generation of molecules within constraints , 1995, J. Comput. Aided Mol. Des..
[49] Gerrit Kateman,et al. CFIT - A GENETIC ALGORITHM FOR SURVIVAL OF THE FITTING , 1993 .
[50] J. Moult,et al. Ab initio structure prediction for small polypeptides and protein fragments using genetic algorithms , 1995, Proteins.
[51] Juan C. Meza,et al. Do intelligent configuration search techniques outperform random search for large molecules , 1992 .
[52] Kenneth M. Merz,et al. The application of the genetic algorithm to the minimization of potential energy functions , 1993, J. Glob. Optim..
[53] G. Kateman,et al. Sequential assignment of 2D-NMR spectra of proteins using genetic algorithms , 1993, J. Chem. Inf. Comput. Sci..
[54] Dermot Diamond,et al. Determination of stability constants using genetic algorithms , 1995 .
[55] Dinesh V. Patel,et al. Strategy and Tactics in Combinatorial Organic Synthesis. Applications to Drug Discovery , 1996 .
[56] D. Livingstone,et al. Structure-activity relationships of antifilarial antimycin analogues: a multivariate pattern recognition study. , 1990, Journal of medicinal chemistry.
[57] C. B. Lucasius,et al. Genetic algorithms in wavelength selection: a comparative study , 1994 .
[58] John Maddox,et al. Genetics helping molecular dynamics , 1995, Nature.
[59] D. Brynn Hibbert,et al. Generation and display of chemical structures by genetic algorithms , 1993 .
[60] Roderick E. Hubbard,et al. Characterising the geometric diversity of functional groups in chemical databases , 1995, J. Comput. Aided Mol. Des..
[61] Richard S. Judson,et al. Docking flexible molecules: A case study of three proteins , 1995, J. Comput. Chem..
[62] David Weininger,et al. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules , 1988, J. Chem. Inf. Comput. Sci..
[63] C. Pleij,et al. An APL-programmed genetic algorithm for the prediction of RNA secondary structure. , 1995, Journal of theoretical biology.
[64] S. B. Needleman,et al. A general method applicable to the search for similarities in the amino acid sequence of two proteins. , 1970, Journal of molecular biology.
[65] C. B. Lucasius,et al. Understanding and using genetic algorithms Part 1. Concepts, properties and context , 1993 .
[66] P. Argos,et al. Potential of genetic algorithms in protein folding and protein engineering simulations. , 1992, Protein engineering.
[67] Yvonne C. Martin,et al. A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists , 1993, J. Comput. Aided Mol. Des..
[68] D. E. Goldberg,et al. Genetic Algorithms in Search , 1989 .
[69] A. Ghose,et al. Determination of Pharmacophoric Geometry for Collagenase Inhibitors Using a Novel Computational Method and Its Verification Using Molecular Dynamics, NMR, and X-ray Crystallography , 1995 .
[70] Jacek Klinowski,et al. Taboo Search: An Approach to the Multiple Minima Problem , 1995, Science.
[71] Susan E. Brown,et al. Tryptophan anion complexes of β-cyclodextrin (cyclomaltaheptaose), an aminopropylamino-β-cyclodextrin and its enantioselective nickel(II) complex , 1994 .
[72] D. Wetlaufer. Nucleation, rapid folding, and globular intrachain regions in proteins. , 1973, Proceedings of the National Academy of Sciences of the United States of America.
[73] F M Richards,et al. Optimal sequence selection in proteins of known structure by simulated evolution. , 1994, Proceedings of the National Academy of Sciences of the United States of America.
[74] Bernd Hartke,et al. Global geometry optimization of (Ar)n and B(Ar)n clusters using a modified genetic algorithm , 1996 .
[75] David E. Goldberg,et al. Genetic Algorithms in Search Optimization and Machine Learning , 1988 .
[76] Richard A. Friesner,et al. Hierarchical algorithm for computer modeling of protein tertiary structure: folding of myoglobin to 6.2 .ANG. resolution , 1994 .
[77] Owen Johnson,et al. The development of versions 3 and 4 of the Cambridge Structural Database System , 1991, J. Chem. Inf. Comput. Sci..
[78] M. Karplus,et al. Protein-folding dynamics , 1976, Nature.
[79] R C Glen,et al. Molecular recognition using a binary genetic search algorithm. , 1993, Journal of molecular graphics.
[80] Thomas Bäck,et al. An Overview of Evolutionary Algorithms for Parameter Optimization , 1993, Evolutionary Computation.
[81] O. M. Kvalheim,et al. Norwegian Chemometrics Award 1993 , 1993 .
[82] Richard S. Judson,et al. Conformational searching methods for small molecules. II. Genetic algorithm approach , 1993, J. Comput. Chem..
[83] James B. Dunbar,et al. Enhancing the diversity of a corporate database using chemical database clustering and analysis , 1995, J. Comput. Aided Mol. Des..
[84] D. Filman,et al. A genetic algorithm for the ab initio phasing of icosahedral viruses. , 1996, Acta crystallographica. Section D, Biological crystallography.
[85] Gerd Folkers,et al. A pseudoreceptor modelling study of the varicella-zoster virus and human thymidine kinase binding sites , 1995, J. Comput. Aided Mol. Des..
[86] C. D. Gelatt,et al. Optimization by Simulated Annealing , 1983, Science.
[87] U. Singh,et al. A NEW FORCE FIELD FOR MOLECULAR MECHANICAL SIMULATION OF NUCLEIC ACIDS AND PROTEINS , 1984 .
[88] C. Pleij,et al. The influence of a metastable structure in plasmid primer RNA on antisense RNA binding kinetics. , 1995, Nucleic acids research.
[89] M Kanehisa,et al. A genetic algorithm based molecular modeling technique for RNA stem-loop structures. , 1995, Nucleic acids research.
[90] H Myung,et al. Hybrid evolutionary programming for heavily constrained problems. , 1996, Bio Systems.
[91] P. Willett. Genetic algorithms in molecular recognition and design. , 1995, Trends in biotechnology.
[92] Dorica Mayer,et al. A unique geometry of the active site of angiotensin-converting enzyme consistent with structure-activity studies , 1987, J. Comput. Aided Mol. Des..
[93] R. Sheridan,et al. The ensemble approach to distance geometry: application to the nicotinic pharmacophore. , 1986, Journal of medicinal chemistry.
[94] G. Chang,et al. Macromodel—an integrated software system for modeling organic and bioorganic molecules using molecular mechanics , 1990 .
[95] John R. Gunn. Minimizing Reduced-Model Proteins Using a Generalized Hierarchical Table-Lookup Potential Function , 1996 .
[96] James P. Snyder,et al. Pseudoreceptor Modeling: The Construction of Three-Dimensional Receptor Surrogates , 1995 .
[97] Desire L. Massart,et al. Robust regression and outlier detection for non-linear models using genetic algorithms , 1995 .
[98] W R Taylor,et al. Protein structure alignment. , 1989, Journal of molecular biology.
[99] S Forrest,et al. Genetic algorithms , 1996, CSUR.
[100] J R Desjarlais,et al. De novo design of the hydrophobic cores of proteins , 1995, Protein science : a publication of the Protein Society.
[101] Barry M. Wise,et al. A comparison of neural networks, non-linear biased regression and a genetic algorithm for dynamic model identification , 1995 .
[102] J. H. Rodriguez,et al. Mössbauer Spectroscopy of the Spin-Coupled Fe3+−Fe2+ Center of Reduced Uteroferrin , 1996 .
[103] Ernö Pretsch,et al. Application of genetic algorithms in molecular modeling , 1994, J. Comput. Chem..
[104] Jean-Marie Dubois,et al. Darwinian Adaptative Simulated Annealing , 1993 .
[105] Philip J. Hajduk,et al. A genetic algorithm-based protocol for docking ensembles of small ligands using experimental restraints , 1995, Journal of biomolecular NMR.
[106] Venkat Venkatasubramanian,et al. Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm , 1995, J. Chem. Inf. Comput. Sci..
[107] Kin Yip Tam,et al. GAMATCH : a genetic algorithm-based program for indexing crystal faces , 1995 .
[108] Hugh M. Cartwright,et al. Applications of artificial intelligence in chemistry , 1993 .
[109] Richard S. Judson,et al. Analysis of the genetic algorithm method of molecular conformation determination , 1993, J. Comput. Chem..
[110] P. Willett,et al. A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases , 1995 .
[111] L. C. Stayton,et al. On the effectiveness of crossover in simulated evolutionary optimization. , 1994, Bio Systems.
[112] M. Karplus,et al. Prediction of the folding of short polypeptide segments by uniform conformational sampling , 1987, Biopolymers.
[113] David B. Fogel,et al. An introduction to simulated evolutionary optimization , 1994, IEEE Trans. Neural Networks.
[114] Steffen Schulze-Kremer,et al. Parameterizing genetic algorithms for protein folding simulation , 1994, 1994 Proceedings of the Twenty-Seventh Hawaii International Conference on System Sciences.
[115] Mark Whittaker,et al. A Monte Carlo pharmacophore generation procedure: Application to the human PAF receptor , 1993, J. Comput. Aided Mol. Des..
[116] George E. P. Box,et al. Evolutionary Operation: a Method for Increasing Industrial Productivity , 1957 .
[117] D. Eisenberg,et al. An evolutionary approach to folding small alpha-helical proteins that uses sequence information and an empirical guiding fitness function. , 1994, Proceedings of the National Academy of Sciences of the United States of America.
[118] Donald E. Williams,et al. Game: Genetic Algorithm for Minimization of Energy, an Interactive Program for Three-dimensional Intermolecular Interactions , 1994, Comput. Chem..
[119] Thomas Bäck,et al. Evolutionary Algorithms in Theory and Practice , 1996 .
[120] G Schneider,et al. 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. , 1994, Biophysical journal.
[121] Johann Gasteiger,et al. Assessing Similarity and Diversity of Combinatorial Libraries by Spatial Autocorrelation Functions and Neural Networks , 1996 .
[122] Hugo Kubinyi,et al. Evolutionary variable selection in regression and PLS analyses , 1996 .
[123] Anton J. Hopfinger,et al. Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships , 1994, J. Chem. Inf. Comput. Sci..
[124] J M Blaney,et al. A geometric approach to macromolecule-ligand interactions. , 1982, Journal of molecular biology.
[125] Johann Gasteiger,et al. The Determination of Maximum Common Substructures by a Genetic Algorithm: Application in Synthesis Design and for the Structural Analysis of Biological Activity , 1994 .
[126] Carlos Adriel Del Carpio,et al. A Parallel Genetic Algorithm for Polypeptide Three Dimensional Structure Prediction. A Transputer Implementation , 1996, J. Chem. Inf. Comput. Sci..
[127] Julian R. Ullmann,et al. An Algorithm for Subgraph Isomorphism , 1976, J. ACM.
[128] P. Willett,et al. Pharmacophoric pattern matching in files of 3d chemical structures: comparison of geometric searching algorithms , 1987 .
[129] Fred E. Cohen,et al. Conformational Sampling of Loop Structures Using Genetic Algorithms , 1994 .
[130] G Benedetti,et al. A genetic algorithm to search for optimal and suboptimal RNA secondary structures. , 1995, Biophysical chemistry.
[131] C. Reeves. Modern heuristic techniques for combinatorial problems , 1993 .
[132] W Nadler,et al. On constructing folding heteropolymers. , 1995, Proceedings of the National Academy of Sciences of the United States of America.
[133] Ho,et al. Molecular geometry optimization with a genetic algorithm. , 1995, Physical review letters.
[134] S. P. Fodor,et al. Applications of combinatorial technologies to drug discovery. 1. Background and peptide combinatorial libraries. , 1994, Journal of medicinal chemistry.
[135] Peter Willett,et al. Hyperstructure model for chemical structure handling: generation and atom-by-atom searching of hyperstructures , 1992, J. Chem. Inf. Comput. Sci..
[136] Kevin P. Clark,et al. Flexible ligand docking without parameter adjustment across four ligand–receptor complexes , 1995, J. Comput. Chem..
[137] P Argos,et al. Folding the main chain of small proteins with the genetic algorithm. , 1994, Journal of molecular biology.
[138] Gareth Jones,et al. Matching two-dimensional chemical graphs using genetic algorithms , 1994, J. Chem. Inf. Comput. Sci..
[139] C. B. Lucasius,et al. Conformational analysis of a dinucleotide photodimer with the aid of the genetic algorithm , 1992, Biopolymers.
[140] G. Böhm,et al. New approaches in molecular structure prediction. , 1996, Biophysical chemistry.
[141] Sándor Suhai,et al. Energy minimization of peptide analogues using genetic algorithms , 1995, J. Comput. Chem..
[142] M. Karplus,et al. CHARMM: A program for macromolecular energy, minimization, and dynamics calculations , 1983 .
[143] Bernd Hartke. Global geometry optimization of clusters using a growth strategy optimized by a genetic algorithm , 1995 .
[144] J Moult,et al. An analysis of protein folding pathways. , 1991, Biochemistry.
[145] R. Leardi. Application of a genetic algorithm to feature selection under full validation conditions and to outlier detection , 1994 .
[146] D. Fogel. Evolutionary algorithms in theory and practice , 1997, Complex..
[147] M. J. Gardner,et al. COMBINATORIAL SYNTHESIS : THE DESIGN OF COMPOUND LIBRARIES AND THEIR APPLICATION TO DRUG DISCOVERY , 1995 .
[148] A C May,et al. Protein structure comparisons using a combination of a genetic algorithm, dynamic programming and least-squares minimization. , 1994, Protein engineering.
[149] C. Pleij,et al. The computer simulation of RNA folding pathways using a genetic algorithm. , 1995, Journal of molecular biology.
[150] S. P. Fodor,et al. Applications of combinatorial technologies to drug discovery. 2. Combinatorial organic synthesis, library screening strategies, and future directions. , 1994, Journal of medicinal chemistry.
[151] A C May,et al. Improved genetic algorithm-based protein structure comparisons: pairwise and multiple superpositions. , 1995, Protein engineering.
[152] David B. Fogel,et al. Evolutionary Computation: Towards a New Philosophy of Machine Intelligence , 1995 .
[153] J Moult,et al. Genetic algorithms for protein structure prediction. , 1996, Current opinion in structural biology.
[154] Barry Robson,et al. PRO_LIGAND: An approach to de novo molecular design. 1. Application to the design of organic molecules , 1995, J. Comput. Aided Mol. Des..
[155] Peter Willett,et al. Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm , 1996, J. Chem. Inf. Comput. Sci..
[156] M. Hahn. Receptor surface models. 1. Definition and construction. , 1995, Journal of medicinal chemistry.
[157] Gareth Jones,et al. Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching , 1994, J. Chem. Inf. Comput. Sci..
[158] Robert P. Sheridan,et al. Using a Genetic Algorithm To Suggest Combinatorial Libraries , 1995, J. Chem. Inf. Comput. Sci..
[159] G Benedetti,et al. A graph-topological approach to recognition of pattern and similarity in RNA secondary structures. , 1996, Biophysical chemistry.
[160] P Argos,et al. Ab initio tertiary-fold prediction of helical and non-helical protein chains using a genetic algorithm. , 1996, International journal of biological macromolecules.
[161] D. B. Hibbert. Genetic algorithms in chemistry , 1993 .
[162] B. Hartke. Global geometry optimization of clusters using genetic algorithms , 1993 .
[163] I D Kuntz,et al. Predicting the structure of protein complexes: a step in the right direction. , 1996, Chemistry & biology.
[164] Zbigniew Michalewicz,et al. Genetic Algorithms + Data Structures = Evolution Programs , 1992, Artificial Intelligence.
[165] C. B. Lucasius,et al. On k-medoid clustering of large data sets with the aid of a genetic algorithm: background, feasiblity and comparison , 1993 .
[166] A. K. Ghose,et al. Conformational searching methods for small molecules. I. Study of the sybyl search method , 1993, J. Comput. Chem..
[167] A. Elofsson,et al. Local moves: An efficient algorithm for simulation of protein folding , 1995, Proteins.
[168] A. Olson,et al. Approximation and characterization of molecular surfaces , 1993, Biopolymers.
[169] Yvonne C. Martin,et al. Use of Structure-Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection , 1996, J. Chem. Inf. Comput. Sci..
[170] G T Montelione,et al. Automated analysis of nuclear magnetic resonance assignments for proteins. , 1995, Current opinion in structural biology.
[171] Gerrit Kateman,et al. Gates Towards Evolutionary Large-scale Optimization: A Software-oriented Approach to Genetic Algorithms - I. General Perspective , 1994, Comput. Chem..
[172] R. Glen,et al. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation. , 1995, Journal of molecular biology.
[173] M Karplus,et al. Evolutionary optimization in quantitative structure-activity relationship: an application of genetic neural networks. , 1996, Journal of medicinal chemistry.
[174] J. Scott Dixon,et al. Flexible ligand docking using a genetic algorithm , 1995, J. Comput. Aided Mol. Des..
[175] G Schneider,et al. Peptide design in machina: development of artificial mitochondrial protein precursor cleavage sites by simulated molecular evolution. , 1995, Biophysical journal.
[176] S. Sun,et al. A genetic algorithm that seeks native states of peptides and proteins. , 1995, Biophysical journal.
[177] Gerrit Kateman,et al. CURVE-FITTING USING NATURAL COMPUTATION , 1994 .
[178] S. Sun,et al. Reduced representation model of protein structure prediction: Statistical potential and genetic algorithms , 1993, Protein science : a publication of the Protein Society.
[179] R. Lavery,et al. A new approach to the rapid determination of protein side chain conformations. , 1991, Journal of biomolecular structure & dynamics.
[180] Pierre Tufféry,et al. A critical comparison of search algorithms applied to the optimization of protein side‐chain conformations , 1993, J. Comput. Chem..
[181] K. Dill,et al. A simple protein folding algorithm using a binary code and secondary structure constraints. , 1995, Protein engineering.
[182] Edward P. Jaeger,et al. Application of Genetic Algorithms to Combinatorial Synthesis: A Computational Approach to Lead Identification and Lead Optimization†,∇ , 1996 .
[183] G Chang,et al. Using genetic algorithms for solving heavy-atom sites. , 1994, Acta crystallographica. Section D, Biological crystallography.
[184] David E. Clark,et al. PRO_LIGAND: An Approach to de Novo Molecular Design, 5. Tools for the Analysis of Generated Structures , 1995, J. Chem. Inf. Comput. Sci..
[185] Jonathan A. Ellman,et al. Synthesis and Applications of Small Molecule Libraries. , 1996, Chemical reviews.
[186] Riccardo Leardi,et al. Genetic Algorithms as a Tool for Wavelength Selection in Multivariate Calibration , 1995 .
[187] J. Mason,et al. New perspectives in lead generation II: Evaluating molecular diversity , 1996 .
[188] Gerrit Kateman,et al. Gates Towards Evolutionary Large-scale Optimization: A Software-oriented Approach to Genetic Algorithms - II. Toolbox Description , 1994, Comput. Chem..
[189] Gennady M Verkhivker,et al. Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming. , 1995, Chemistry & biology.
[190] C. B. Lucasius,et al. Modelling chromatographic behaviour as a function of pH and solvent composition in RPLC , 1993 .
[191] Gerrit Kateman,et al. Spectral curve fitting of infrared spectra obtained from semi-crystalline polyester yarns , 1995 .
[192] Gerrit Kateman,et al. Evolutionary determination of physico-chemical parameters and concentrations of analytes from titration data , 1994 .
[193] J. Scott Dixon. Flexible docking of ligands to receptor sites using genetic algorithms , 1993 .