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ACS电子期刊(190)
在“
ACS电子期刊
”中,
命中:
190
条,耗时:小于0.01 秒
在所有数据库中总计命中:
1,618
条
1.
Pharmacophore-Based
3D
-
QSAR
Analysis of Thienyl Chalcones as a New Class of Human MAO-B Inhibitors: Investigation of Combined Quantum Chemical and Molecular Dynamics Approach
作者:
Bijo Mathew
;
Adebayo A. Adeniyi
;
Sanal Dev
;
Monu JoyGülberk Ucar
;
Githa Elizabeth Mathew
;
Ashona Singh-Pillay
;
Mahmoud E. S. Soliman
刊名:Journal of Physical Chemistry B
出版年:2017
2.
Prediction of Protein Kinase–Ligand Interactions through 2.5D Kinochemometrics
作者:
Nicolas Bosc
;
Berthold Wroblowski
;
Christophe Meyer
;
Pascal Bonnet
刊名:Journal of Chemical Information and Modeling
出版年:2017
3.
Computational Study Exploring the Interaction Mechanism of Benzimidazole Derivatives as Potent Cattle Bovine Viral Diarrhea Virus Inhibitors
作者:
Jinghui Wang
;
Yinfeng Yang
;
Yan Li
;
Yonghua Wang
刊名:Journal of Agricultural and Food Chemistry
出版年:2016
4.
Energy-Based Pharmacophore and Three-Dimensional Quantitative Structure–Activity Relationship (
3D
-
QSAR
) Modeling Combined with Virtual Screening To Identify Novel Small-Molecule Inhibitors of Silent M
作者:
Venkat Koushik Pulla
;
Dinavahi Saketh Sriram
;
Srikant Viswanadha
;
Dharmarajan Sriram
;
Perumal Yogeeswari
刊名:Journal of Chemical Information and Modeling
出版年:2016
5.
QSAR
-Driven Discovery of Novel Chemical Scaffolds Active against Schistosoma mansoni
作者:
Cleber C. Melo-Filho
;
Rafael F. Dantas
;
Rodolpho C. Braga
;
Bruno J. Neves
;
Mario R. Senger
;
Walter C. G. Valente
;
João M. Rezende-Neto
;
Willian T. Chaves
;
Eugene N. Muratov
;
Ross A. Paveley
;
Nicholas Furnham
;
Lee Kamentsky
;
Anne E. Carpenter
;
Floriano P. Silva-Junior
;
Carolina H. Andrade
刊名:Journal of Chemical Information and Modeling
出版年:2016
6.
Investigation of an Immunoassay with Broad Specificity to Quinolone Drugs by Genetic Algorithm with Linear Assignment of Hypermolecular Alignment of Data Sets and Advanced Quantitative Structure–Activity Relationship Analysis
作者:
Jiahong Chen
;
Ning Lu
;
Xing Shen
;
Qiushi Tang
;
Chijian Zhang
;
Jun Xu
;
Yuanming Sun
;
Xin-an Huang
;
Zhenlin Xu
;
Hongtao Lei
刊名:Journal of Agricultural and Food Chemistry
出版年:2016
7.
Multistep Reaction Based De Novo Drug Design: Generating Synthetically Feasible Design Ideas
作者:
Brian B. Masek
;
David S. Baker
;
Roman J. Dorfman
;
Karen DuBrucq
;
Victoria C. Francis
;
Stephan Nagy
;
Bree L. Richey
;
Farhad Soltanshahi
刊名:Journal of Chemical Information and Modeling
出版年:2016
8.
Identification of New Human Malaria Parasite Plasmodium falciparum Dihydroorotate Dehydrogenase Inhibitors by Pharmacophore and Structure-Based Virtual Screening
作者:
Elumalai Pavadai
;
Farah El Mazouni
;
Sergio Wittlin
;
Carmen de Kock
;
Margaret A. Phillips
;
Kelly Chibale
刊名:Journal of Chemical Information and Modeling
出版年:2016
9.
Structure鈥揙dor Correlations in Homologous Series of Alkanethiols and Attempts To Predict Odor Thresholds by
3D
-
QSAR
Studies
作者:
Johannes Polster
;
Peter Schieberle
刊名:Journal of Agricultural and Food Chemistry
出版年:2015
10.
3D
-
QSAR
-Assisted Design, Synthesis, and Evaluation of Novobiocin Analogues
作者:
Huiping Zhao
;
Elisabetta Moroni
;
Bin Yan
;
Giorgio Colombo
;
Brian S. J. Blagg
刊名:ACS Medicinal Chemistry Letters
出版年:2013
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