J. Blaney

发表

Orientational sampling and rigid‐body minimization in molecular docking

Daniel A. Gschwend, I. Kuntz, E. Meng, 1993, Proteins.

Rethinking drug design in the artificial intelligence era

G. Schneider, J. Listgarten, A. Plowright, 2019, Nature Reviews Drug Discovery.

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop.

Haruki Nakamura, Evan Bolton, Zukang Feng, 2016, Structure.

Measuring diversity: experimental design of combinatorial libraries for drug discovery.

D C Spellmeyer, J M Blaney, E J Martin, 1995, Journal of medicinal chemistry.

SGX523 is an exquisitely selective, ATP-competitive inhibitor of the MET receptor tyrosine kinase with antitumor activity in vivo

Stephen K Burley, Spencer Emtage, Shane Atwell, 2009, Molecular Cancer Therapeutics.

Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors.

Masaki Tomimoto, Charles Kissinger, Anthony M Giannetti, 2008, Bioorganic & medicinal chemistry letters.

Computer Graphics and Molecular Modeling in the Analysis of Synthetic Targets

J. Blaney, W. Ripka, Jeffrey M. Blaney, 2007 .

Protein β-turn mimetics I. Design, synthesis, and evaluation in model cyclic peptides.

W. C. Ripka, J. Blaney, A. Bach, 1993 .

Structure-activity relationships of dihydrofolated reductase inhibitors

Jeffrey M. Blaney, Carlo Silipo, C. Hansch, 1984 .

Nmr Structural Characterization of Oligo-N-Substituted Glycine Lead Compounds from a Combinatorial Library

D. Spellmeyer, E. Bradley, J. Blaney, 2004, Molecular Diversity.

Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors.

Jane R Kenny, Michael Siu, Deepak Sampath, 2012, Journal of medicinal chemistry.

Does Combinatorial Chemistry Obviate Computer-Aided Drug Design?o Reviews in Computational Chemistry

Eric J. Martin, Jeffrey M. Blaney, Roger E. Critchlow, 2007 .

Modification of a receptor-binding surface of epidermal growth factor (EGF): analogs with enhanced receptor affinity at low pH or at neutrality.

G. Montelione, J. Blaney, S. Rosenberg, 1998, Protein engineering.

Computer Graphics and Molecular Modeling in the Analysis of Synthetic Targets

J. Blaney, W. Ripka, 2007 .

Selective inhibition of MET protein receptor tyrosine kinase by SGX523

J. M. Sauder, S. Burley, J. Blaney, 2007 .

Electrostatic potential molecular surfaces.

J M Blaney, R Langridge, P A Kollman, 1982, Proceedings of the National Academy of Sciences of the United States of America.

A geometric approach to macromolecule-ligand interactions.

J M Blaney, R Langridge, T E Ferrin, 1982, Journal of molecular biology.

Molecular modeling software and methods for medicinal chemistry.

J M Blaney, C. Humblet, P. Gund, 1990, Journal of medicinal chemistry.

A good ligand is hard to find: Automated docking methods

J. Scott Dixon, Jeffrey M. Blaney, J. S. Dixon, 1993 .

Quantitative structure-activity relationship of 5-(X-benzyl)-2,4-diaminopyrimidines inhibiting bovine liver dihydrofolate reductase.

C. Hansch, J. Blaney, S. Dietrich, 1979, Journal of medicinal chemistry.

A Comparison by QSAR, Crystallography, and Computer Graphics of the Inhibition of Various Dihydrofolate Reductases by 5‐(X‐Benzyl)‐2,4‐diamino‐pyrimidines

R. Langridge, C. Hansch, J. Blaney, 1982 .

Distance Geometry in Molecular Modeling

J. S. Dixon, J. Blaney, Jeffrey M. Blaney, 2007 .

Molecular mechanics simulation of protein-ligand interactions: binding of thyroid hormone analogs to prealbumin

Peter A. Kollman, Paul K. Weiner, Jeffrey M. Blaney, 1982 .

Calculating three-dimensional molecular structure from atom-atom distance information: cyclosporin A.

J M Blaney, W. V. van Gunsteren, J. Blaney, 2009, International journal of peptide and protein research.

Diverse Approaches to Combinatorial Library Design

Eric J. Martin, Jeffrey M. Blaney, Steven Rosenberg, 1998 .

Chapter 29. Receptor Modeling by Distance Geometry

Jeffrey M. Blaney, J. S. Dixon, J. Blaney, 1991 .

Coupling structure-based design with combinatorial chemistry: application of active site derived pharmacophores with informative library design.

Christian Lemmen, John E Eksterowicz, Erik Evensen, 2002, Journal of molecular graphics & modelling.

The combinatorial distance geometry method for the calculation of molecular conformation. II. Sample problems and computational statistics.

Timothy F. Havel, J M Blaney, T F Havel, 1983, Journal of theoretical biology.

Molecular‐mechanical studies of hormone–protein interactions: The interaction of T4 and T3 with prealbumin

R. Langridge, P. Kollman, J. Blaney, 1984, Biopolymers.

Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structure-activity analysis.

J M Blaney, R Langridge, R. Langridge, 1982, Journal of medicinal chemistry.

Rational Drug Design

J. Blaney, D. Truhlar, A. Hopfinger, 2012 .

Papain hydrolysis of X-phenyl-N-methanesulfonyl glycinates: a quantitative structure-activity relationship and molecular graphics analysis.

R. Langridge, C. Hansch, J. Blaney, 1984, Archives of biochemistry and biophysics.

Fragment-based discovery of potent ERK2 pyrrolopyrazine inhibitors.

J. Blaney, Jianping Yin, B. Pan, 2015, Bioorganic & medicinal chemistry letters.

CHUCKLES: A method for representing and searching peptide and peptoid sequences on both monomer and atomic levels

David Weininger, Jeffrey M. Blaney, Michael A. Siani, 1994, J. Chem. Inf. Comput. Sci..

Conformational analysis using distance geometry methods.

D C Spellmeyer, A K Wong, M J Bower, 1997, Journal of molecular graphics & modelling.

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA).

Jérôme Hert, Christian Kramer, Martin Stahl, 2017, Journal of medicinal chemistry.

An integrated suite of modeling tools that empower scientists in structure- and property-based drug design

Jeffrey M. Blaney, Philippe Bergeron, Man-Ling Lee, 2015, Journal of Computer-Aided Molecular Design.

A very short history of structure-based design: how did we get here and where do we need to go?

Jeff Blaney, J. Blaney, 2011, Journal of Computer-Aided Molecular Design.

Molecular mechanics studies of enzyme-substrate interactions: the interaction of L- and D-N-acetyltryptophanamide with α-chymotrypsin

Peter A. Kollman, Paul K. Weiner, Jeffrey M. Blaney, 1983 .

The use of crystallography, graphics, and quantitative structure--activity relationships in the analysis of the papain hydrolysis of X-phenyl hippurates.

J M Blaney, R Langridge, R. Langridge, 1982, Archives of biochemistry and biophysics.

Guidelines for publications in molecular modeling related to medicinal chemistry.

J M Blaney, P. Gund, J. Blaney, 1988, Journal of medicinal chemistry.

Crystallography, quantitative structure-activity relationships, and molecular graphics in a comparative analysis of the inhibition of dihydrofolate reductase from chicken liver and Lactobacillus casei by 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(substituted-phenyl)-s-triazine s.

R. Langridge, C. Hansch, J. Blaney, 1984, Journal of medicinal chemistry.

Protein β-Turn Mimetics. Part 1. Design, Synthesis, and Evaluation in Model Cyclic Peptides.

J. Blaney, A. Bach, W. Ripka, 1993 .

Gramicidin S: A general model for β-turn mimics?

J. Blaney, A. Bach, W. Ripka, 1994 .

Fragment‐based Lead Discovery and Optimization Using X‐Ray Crystallography, Computational Chemistry, and High‐throughput Organic Synthesis

Stephen K. Burley, Vicki L. Nienaber, S. Burley, 2006 .

Computer graphics in drug design: molecular modeling of thyroid hormone-prealbumin interactions.

J M Burridge, J M Blaney, R Langridge, 1982, Journal of medicinal chemistry.

Direct Transformation of Carboxylic Acids into Aldehydes

P. Kollman, P. Weiner, N. L. Allinger, 2020 .

CHORTLES: A Method for Representing Oligomeric and Template-Based Mixtures

David Weininger, Jeffrey M. Blaney, Craig A. James, 1995, J. Chem. Inf. Comput. Sci..