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SAR and QSAR in Environmental Research|November 2, 2022
Decoding drug resistant mechanism of V32I, I50V and I84V mutations of HIV-1 protease on amprenavir binding by using molecular dynamics simulations and MM-GBSA calculationsY X Yu, W Wang, H B Sun, et al.
SAR and QSAR in Environmental Research|July 24, 2019
In silico design of diacylglycerol acyltransferase-1 (DGAT1) inhibitors based on SMILES descriptors using Monte-Carlo methodP Kumar, A Kumar, J Sindhu
SAR and QSAR in Environmental Research|September 15, 2022
Development of 3D-QSAR and pharmacophoric models to design new anti-Trypanosoma cruzi agents based on 2-aryloxynaphthoquinone scaffoldM Paulino, C Espinosa-Bustos, J Bertrand, et al.
SAR and QSAR in Environmental Research|July 1, 2011
QSPR for predicting chloroform formation in drinking water disinfectionG B Luilo, S E Cabaniss
SAR and QSAR in Environmental Research|May 21, 2011
Fragment-similarity-based QSAR (FS-QSAR) algorithm for ligand biological activity predictionsK Z Myint, C Ma, L Wang, et al.
SAR and QSAR in Environmental Research|September 12, 2015
Virtual screening of chemical compounds active against breast cancer cell lines based on cell cycle modelling, prediction of cytotoxicity and interaction with targetsV Konova, A Lagunin, P Pogodin, et al.
SAR and QSAR in Environmental Research|September 22, 2015
Development of an informatics infrastructure for data exchange of biomolecular simulations: Architecture, data models and ontologyJ C Thibault, D R Roe, K Eilbeck, et al.
SAR and QSAR in Environmental Research|January 20, 2016
Prediction of in vitro and in vivo oestrogen receptor activity using hierarchical clusteringT M Martin
SAR and QSAR in Environmental Research|October 14, 2015
Molecular modelling studies on 2-substituted octahydropyrazinopyridoindoles for histamine H2 receptor antagonismM Saxena, S S Bhunia, A K Saxena
SAR and QSAR in Environmental Research|October 17, 2015
QSAR models for antioxidant activity of new coumarin derivativesP Erzincan, M T Saçan, B Yüce-Dursun, et al.
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