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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery

Journal of medicinal chemistry, 1995-04, Vol.38 (9), p.1431-1436

1995

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Discovery of Nanomolar Ligands for 7-Transmembrane G-Protein-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library

Journal of medicinal chemistry, 1994-08, Vol.37 (17), p.2678-2685

1994

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A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Journal of the American Chemical Society, 1995-05, Vol.117 (19), p.5179-5197

1995

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Force-field model for intramolecular radical additions

Journal of organic chemistry, 1987-03, Vol.52 (6), p.959-974

1987

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Transition Structures of Thermally Allowed Disrotatory Electrocyclizations. The Prediction of Stereoselective Substituent Effects in Six-Electron Pericyclic Reactions

Journal of organic chemistry, 1995-11, Vol.60 (22), p.7134-7141

1995

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Theoretical transition structures for radical additions to alkenes

Journal of organic chemistry, 1986-07, Vol.51 (15), p.2874-2879

1986

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A rapid computational method for lead evolution: description and application to alpha(1)-adrenergic antagonists

Journal of medicinal chemistry, 2000-07, Vol.43 (14), p.2770-2774

2000

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Energy component analysis for dilute aqueous solutions of Li+, Na+F-, and Cl- ions

Journal of the American Chemical Society, 1984, Vol.106 (4), p.903-910

1984

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Theory and Modeling of Stereoselective Organic Reactions

Science (American Association for the Advancement of Science), 1986-03, Vol.231 (4742), p.1108-1117

1986

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Conformational analysis using distance geometry methods

Journal of molecular graphics & modelling, 1997-02, Vol.15 (1), p.18-36

1997

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A Rapid Computational Method for Lead Evolution: Description and Application to α1-Adrenergic Antagonists

Journal of medicinal chemistry, 2000-07, Vol.43 (14), p.2770-2774

2000

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Prediction and experimental verification of the stereoselective electrocyclization of 3-formylcyclobutene

Journal of organic chemistry, 1987-08, Vol.52 (16), p.3708-3710

1987

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NMR structural characterization of oligo-N-substituted glycine lead compounds from a combinatorial library

Molecular diversity, 1997, Vol.3 (1), p.1-15

1997

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Electrocyclic ring openings of dialkylcyclobutenes: anomalies explained

Journal of the American Chemical Society, 1990-09, Vol.112 (19), p.6759-6763

1990

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Applications of random sampling to virtual screening of combinatorial libraries

Journal of molecular graphics & modelling, 2000-08, Vol.18 (4-5), p.335-342

2000

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Peptoids: A Modular Approach to Drug Discovery

Proceedings of the National Academy of Sciences - PNAS, 1992-10, Vol.89 (20), p.9367-9371

1992

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Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states

Journal of the American Chemical Society, 1983-09, Vol.105 (19), p.5980-5988

1983

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Substituent Effects on Rates and Stereoselectivities of Conrotatory Electrocyclic Reactions of Cyclobutenes. A Theoretical Study

Journal of organic chemistry, 1996-04, Vol.61 (8), p.2813-2825

1996

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Pharmacologic characterization of CHIR 2279, an N-substituted glycine peptoid with high-affinity binding for alpha 1-adrenoceptors

The Journal of pharmacology and experimental therapeutics, 1996-05, Vol.277 (2), p.885

1996

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Experimental and theoretical studies of substituent effects on an orbital-symmetry-forbidden electrocyclization

Journal of the American Chemical Society, 1989-07, Vol.111 (14), p.5356-5367

1989

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Transition structures of pericyclic reactions. Electron correlation and basis set effects on the transition structure and activation energy of the electrocyclization of cyclobutene to butadiene

Journal of the American Chemical Society, 1988-05, Vol.110 (11), p.3412-3416

1988

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Systematic study of substance P analogs. II: Rapid screening of 512 substance P stereoisomers for binding to NK1 receptor

International journal of peptide and protein research, 1993-10, Vol.42 (4), p.392-399

1993

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Cytochalasin support studies. 5. Conjugate addition of .beta.-oxo ester dianions to vinyl sulfones: a new procedure for seven-ring annulation. Synthesis of a chiral cytochalasin C intermediate via an intramolecular Diels-Alder reaction of a chiral Z diene

Journal of the American Chemical Society, 1982-10, Vol.104 (21), p.5728-5740

1982

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Theoretical investigations of the rotational barrier in anisole: an ab initio and molecular dynamics study

Journal of physical chemistry (1952), 1990-05, Vol.94 (11), p.4483-4491

1990

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Synthesis, molecular modelling, and NMR structure determination of four cyclic peptide antagonists of endothelin

Bioorganic & medicinal chemistry, 1994-04, Vol.2 (4), p.279-296

1994

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Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery

Discovery of Nanomolar Ligands for 7-Transmembrane G-Protein-Coupled Receptors from a Diverse N-(Substituted)glycine Peptoid Library

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Force-field model for intramolecular radical additions

Transition Structures of Thermally Allowed Disrotatory Electrocyclizations. The Prediction of Stereoselective Substituent Effects in Six-Electron Pericyclic Reactions

Theoretical transition structures for radical additions to alkenes

A rapid computational method for lead evolution: description and application to alpha(1)-adrenergic antagonists

Energy component analysis for dilute aqueous solutions of Li+, Na+F-, and Cl- ions

Theory and Modeling of Stereoselective Organic Reactions

Conformational analysis using distance geometry methods

A Rapid Computational Method for Lead Evolution: Description and Application to α1-Adrenergic Antagonists

Prediction and experimental verification of the stereoselective electrocyclization of 3-formylcyclobutene

NMR structural characterization of oligo-N-substituted glycine lead compounds from a combinatorial library

Electrocyclic ring openings of dialkylcyclobutenes: anomalies explained

Applications of random sampling to virtual screening of combinatorial libraries

Peptoids: A Modular Approach to Drug Discovery

Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states

Substituent Effects on Rates and Stereoselectivities of Conrotatory Electrocyclic Reactions of Cyclobutenes. A Theoretical Study

Pharmacologic characterization of CHIR 2279, an N-substituted glycine peptoid with high-affinity binding for alpha 1-adrenoceptors

Experimental and theoretical studies of substituent effects on an orbital-symmetry-forbidden electrocyclization

Transition structures of pericyclic reactions. Electron correlation and basis set effects on the transition structure and activation energy of the electrocyclization of cyclobutene to butadiene

Systematic study of substance P analogs. II: Rapid screening of 512 substance P stereoisomers for binding to NK1 receptor

Cytochalasin support studies. 5. Conjugate addition of .beta.-oxo ester dianions to vinyl sulfones: a new procedure for seven-ring annulation. Synthesis of a chiral cytochalasin C intermediate via an intramolecular Diels-Alder reaction of a chiral Z diene

Theoretical investigations of the rotational barrier in anisole: an ab initio and molecular dynamics study

Synthesis, molecular modelling, and NMR structure determination of four cyclic peptide antagonists of endothelin

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