Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program-Reference-Cited by-同舟云学术

Quantum Mechanical Energy-Based Screening of Combinatorially Generated Library of Tautomers. TauTGen: A Tautomer Generator Program

Published:2006-12-29 Issue:2 Volume:47 Page:686-694
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Harańczyk Maciej¹,Gutowski Maciej¹

Affiliation:

1. Department of Chemistry, University of Gdańsk, 80-952 Gdańsk, Poland, Chemical Sciences Division, Fundamental Sciences Directorate, Pacific Northwest National Laboratory, Richland, Washington 99352, and Chemistry-School of Engineering and Physical Sciencs, Heriot-Watt University, Edinburgh EH14 4AS, U.K.

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/ci6002703

Reference38 articles.

1. The Many Roles of Computation in Drug Discovery

2. Computational estimation of logarithm of n-octanol/air partition coefficient and subcooled vapor pressures of 75 chloronaphthalene congeners

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