1. 2D-Double transition metal MXenes for spintronics applications: surface functionalization induced ferromagnetic half-metallic complexes. Issue 47 (1st November 2022) Authors: Dihingia, Kripa Dristi; Saikia, Swagata; Yedukondalu, N.; Saha, Supriya; Sastry, G. Narahari Journal: Journal of materials chemistry Issue: Volume 10:Issue 47(2022) Page Start: 17886 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A comprehensive conformational analysis of tryptophan, its ionic and dimeric forms. Issue 8 (1st November 2013) Authors: Purushotham, Uppula; Sastry, G. Narahari Journal: Journal of computational chemistry Issue: Volume 35:Issue 8(2014) Page Start: 595 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. A machine learning-based approach to determine infection status in recipients of BBV152 (Covaxin) whole-virion inactivated SARS-CoV-2 vaccine for serological surveys. (July 2022) Authors: Singh, Prateek; Ujjainiya, Rajat; Prakash, Satyartha; Naushin, Salwa; Sardana, Viren; Bhatheja, Nitin; Singh, Ajay Pratap; Barman, Joydeb; Kumar, Kartik; Gayali, Saurabh; Khan, Raju; Rawat, Birendra Singh; Tallapaka, Karthik Bharadwaj; Anumalla, Mahesh; Lahiri, Amit; Kar, Susanta; Bhosale, Vivek;... Journal: Computers in biology and medicine Issue: Volume 146(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Assessing machine learning approaches for predicting failures of investigational drug candidates during clinical trials. (February 2023) Authors: John, Lijo; Mahanta, Hridoy Jyoti; Soujanya, Y.; Sastry, G. Narahari Journal: Computers in biology and medicine Issue: Volume 153(2023) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Bandgap engineering of ZnX (X = O, S, Se, Te) QDs/Graphene nanocomposites: Towards the designing of a highly efficient light-harvesting device. (August 2022) Authors: Dihingia, Kripa Dristi; Saha, Supriya; Sastry, G. Narahari Journal: Journal of physics and chemistry of solids Issue: Volume 167(2022) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Binding propensity and selectivity of cationic, anionic, and neutral guests with model hydrophobic hosts: A first principles study. Issue 3 (15th August 2022) Authors: Kumar, Yenamareddy Bhargav; Pandey, Anwesh; Kumar, Nandan; Sastry, G. Narahari Journal: Journal of computational chemistry Issue: Volume 44:Issue 3(2023) Page Start: 432 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Buckybowls as adsorbents for CO2, CH4, and C2H2: Binding and structural insights from computational study. Issue 3 (31st October 2015) Authors: Hussain, M. Althaf; Vijay, Dolly; Sastry, G. Narahari Journal: Journal of computational chemistry Issue: Volume 37:Issue 3(2016) Page Start: 366 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Differential cationization of fatty acids with monovalent cations studied by electrospray ionization tandem mass spectrometry and a computational approach. (7th June 2018) Authors: Sudarshana Reddy, B.; Pavankumar, P.; Sridhar, L.; Saha, Soumen; Sastry, G. Narahari; Prabhakar, S. Journal: Rapid communications in mass spectrometry Issue: Volume 32:Number 14(2018) Page Start: 1126 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Estimating the binding ability of onium ions with CO2 and π systems: a computational investigation. Issue 3 (2nd December 2014) Authors: Hussain, M. Althaf; Mahadevi, A. Subha; Sastry, G. Narahari Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 3(2015) Page Start: 1763 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Impact of the Chirality and Curvature of Carbon Nanostructures on Their Interaction with Aromatics and Amino Acids. Issue 11 (3rd May 2013) Authors: Umadevi, Deivasigamani; Sastry, G. Narahari Journal: Chemphyschem Issue: Volume 14:Issue 11(2013) Page Start: 2570 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗