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Molecular Informatics|August 20, 2013
How Far Could We Go with Open Data - A Case Study for TRPV1 AntagonistsDaria A Tsareva, Gerhard F Ecker
Molecular Informatics|February 21, 2012
Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to TargetFabio Broccatelli, Emanuele Carosati, Gabriele Cruciani, et al.
Molecular Informatics|November 8, 2017
Unbinding of Kinesin from Microtubule in the Strongly Bound States Enhances under Assisting ForcesHamidreza Khataee, Solmaz Naseri, Yongmin Zhong, et al.
Molecular Informatics|November 15, 2017
Identification of Bioactive Scaffolds Based on QSAR ModelsTomoki Nakagawa, Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics|September 1, 2017
Modeling of the hERG K+ Channel Blockage Using Online Chemical Database and Modeling Environment (OCHEM)Xiao Li, Yuan Zhang, Huanhuan Li, et al.
Molecular Informatics|September 7, 2020
Two- and Three-dimensional Quantitative Structure-activity Relationship Models Based on Conformer StructuresFumika Nitta, Hiromasa Kaneko
Molecular Informatics|November 2, 2020
Prediction of the Partition Coefficient between Adipose Tissue and Blood for Environmental Chemicals: From Single QSAR Models to an Integrated ApproachClaudia Ileana Cappelli, Serena Manganelli, Cosimo Toma, et al.
Molecular Informatics|January 18, 2023
Exploring cooperative molecular contacts using a PostgreSQL database systemMael A Briand, Loïc Dreano, Ashenafi Legehar, et al.
Molecular Informatics|January 6, 2021
Drug Re-positioning Studies for Novel HIV-1 Inhibitors Using Binary QSAR Models and Multi-target-driven In Silico StudiesBerna Dogan, Serdar Durdagi
Molecular Informatics|June 1, 2021
Identification of 1,2,4-Triazolylthioethanone Scaffold for the Design of New Acetylcholinesterase InhibitorsErma Fatiha Muhammad, Ashutosh Kumar, Habibah A Wahab, et al.
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