131. Computational insight into dengue virus NS2B-NS3 protease inhibition: A combined ligand- and structure-based approach. (December 2018) Authors: Chen, Junning; Jiang, Hailun; Li, Fangfei; Hu, Baichun; Wang, Ying; Wang, MingXing; Wang, Jian; Cheng, Maosheng Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 261 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
132. In-silico screening of small molecule inhibitors against Lactate Dehydrogenase (LDH) of Cryptosporidium parvum. (December 2018) Authors: Dhal, Ajit Kumar; Pani, Alok; Mahapatra, Rajani Kanta; Yun, Soon-IL Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 44 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
133. Schistosomiasis: Snail-vector control, molecular modelling and dynamic studies of bioactive N-acetylglycoside saponins from Tetrapleura tetraptera. (December 2018) Authors: Taiwo, Bamigboye J.; Olubiyi, Olujide O.; Wang, Xue; Fisusi, Funmilola A.; Akinniyi, Ganiyu Akintayo; Van Heerden, Fanie R.; Strodel, Birgit Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 363 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
134. In silico analysis of nsSNPs in ABCB1 gene affecting breast cancer associated protein P-glycoprotein (P-gp). (December 2018) Authors: Chakraborty, Rajkumar; Gupta, Himani; Rahman, Razia; Hasija, Yasha Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 430 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
135. Synthesis, docking, ADMET prediction, cytotoxicity and antimicrobial activity of oxathiadiazole derivatives. (December 2018) Authors: Yadav, Madhu; Srivastava, Ritika; Naaz, Farha; Singh, Ramendra K. Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 226 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
136. C3: An R package for cross-species compendium-based cell-type identification. (December 2018) Authors: Kabir, Md Humayun; Djordjevic, Djordje; O'Connor, Michael D.; Ho, Joshua W.K. Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 187 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
137. In silico and in vitro screening of small molecule Inhibitors against SYT-SSX1 fusion protein in synovial sarcoma. (December 2018) Authors: Natarajan, Valliyammai; Ramanathan, Priya; Gopisetty, Gopal; Ramachandran, Balaji; Thangarajan, Rajkumar; Kesavan, Sabitha Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 36 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
138. Spectroscopic profiling (FT-IR, FT-Raman, NMR and UV-Vis), autoxidation mechanism (H-BDE) and molecular docking investigation of 3-(4-chlorophenyl)-N, N-dimethyl-3-pyridin-2-ylpropan-1-amine by DFT/TD-DFT and molecular dynamics: A potential SSRI drug. (December 2018) Authors: Abraham, Christina Susan; Muthu, S.; Prasana, Johanan Christian; Armaković, Sanja J.; Armaković, Stevan; Rizwana B., Fathima; A.S., Ben Geoffrey Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 131 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
139. Discovery of natural product inhibitors of phosphodiesterase 10A as novel therapeutic drug for schizophrenia using a multistep virtual screening. (December 2018) Authors: Al-Nema, Mayasah; Gaurav, Anand; Akowuah, Gabriel Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 52 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
140. Unraveling the mechanism of l-gulonate-3-dehydrogenase inhibition by ascorbic acid: Insights from molecular modeling. (December 2018) Authors: Agrawal, Nikhil; Hossain, Md. Summon; Skelton, Adam A.; Muralidhar, Kambadur; Kaushik, Sandeep Journal: Computational biology and chemistry Issue: Volume 77(2018) Page Start: 146 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗