Validation of a rapid attribution of the May/June 2016 flood-inducing precipitation in France to climate change by Philip, S, Van Oldenborgh, G, Aalbers, E, Vautard, R, Otto, F, Haustein, K, Habets, F, Singh, R

“…Together with the evaluation of the attribution of Storm Desmond by Otto et al., this shows that, for these types of events, near-real-time attribution studies are now possible.…”

In silico and saturation transfer difference NMR approaches to unravel the binding mode of an andrographolide derivative to K-Ras oncoprotein by Shun, Ying Quah, Tan, Michelle Siying, Kok, Lian Ho, Abd Manan, Nizar, Gorfe, Alemayehu A., Deb, Pran Kishore, Sagineedu, Sreenivasa Rao, Stanslas, Johnson

“…Methods & results: In silico docking and molecular dynamics simulation were performed using Glide and Desmond, respectively; while saturation transfer difference NMR was performed using GDP-bound K-RasG12V. …”
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Trevor Pinch’s legacy for media studies by Simone Tosoni

“…He co-founded and developed the sociology of technology and the field of science and technology studies for which, in 2018, he was awarded the prestigious John Desmond Bernal Prize by the Society for Social Studies of Science (4S). …”
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Towards an expansive object and a restrictive experience in Everyday Aesthetics: A Chestertonian metaxological approach by Miguel A. Romero-Ramírez, Duncan Reyburn

“…Methodology: To resolve this tension, a hermeneutic methodology known as the fourfold sense of being, related to Hegelian dialectic, albeit with important modifications supplied by William Desmond was used. This methodology allows a suitable way to explore and discuss different approaches in everyday aesthetics epitomized by Mandoki and Dewey, and makes possible the proposal of a third way, epitomized by G. …”
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Perinatal alcohol use among young women living with HIV in South Africa: Context, experiences, and implications for interventions by Kirsty Brittain, Jennifer Pellowski, Sandisiwe Noholoza, Claude A. Mellins, Linda-Gail Bekker, Ashraf Kagee, Robert H. Remien, Elaine J. Abrams, Landon Myer

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Repurposing of Food and Drug Admnistration (FDA) approved library to identify a potential inhibitor of trypanothione synthetase for developing an antileishmanial agent by Divya Vemula, Shreelekha Mohanty, Vasundhra Bhandari

“…The stability of the ligand-protein complexes was assessed further with the help of Desmond to execute a 100-ns molecular dynamics simulation. …”
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Experimental Medicine for HIV Vaccine Research and Development by Holly Prudden, Roger Tatoud, Cathy Slack, Robin Shattock, Pervin Anklesaria, Linda-Gail Bekker, Susan Buchbinder

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Guideline on safer conception in fertile HIV-infected individuals and couples by L-G Bekker, V Black, L Myer, H Rees, D Cooper, S Mall, C Mnyami, F Conradie, I Mahabeer, L Gilbert, S Schwartz

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Aquatic Biological Diversity Responses to Flood Disturbance and Forest Management in Small, Forested Watersheds by Robert J. Danehy, Robert E. Bilby, Tiffany E. Justice, Gary T. Lester, Jay E. Jones, Sogal S. Haddadi, Glenn D. Merritt

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Finding potential inhibitors for Main protease (Mpro) of SARS-CoV-2 through virtual screening and MD simulation studies by N. Anis Ahamed, Ibrahim A. Arif

“…After performing compound screening using Lipinski’s rule, Qikprop analysis following with virtual Screening, Induced Fit Docking (IFD) and MM-GBSA analysis with the Glide and Prime modules of Schrödinger, the best complex was subjected to MD simulation with Desmond. According to the docking results, small protein 2,371,668 and compound 1,090,395 were docked with Main protease with −12.6, −12.0 kcal/mol dock score and interacted with the functional site residues His 41 and Cys 145, as well as the binding site residues Thr 26, Phe 140, Asn 142, Gly 143, Glu 166, and Gln 189. …”
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Joint base-calling of two DNA sequences with factor graphs by Shi, Xiaomeng, Ph. D. Massachusetts Institute of Technology

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Instrumentation of an ergometer paddle to be integrated with an instrumented footrest and foot-strap to assess upper and lower-body force contributions during paddling by Hong, Mervyn Jun

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Inhaled combination powders for respiratory system infections and disorders by Lee, Sie Huey

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Sound, sense, and story : narrativity and poeticity in the contemporary lyric poem by Wee, Samuel Ting Han

“…Said theoretical model is thus applied to a series of poetic texts of varying lengths and styles to test the robustness of the method: these texts are Arthur Yap’s “sociability”, Derek Mahon’s The Hudson Letter, John Ashbery’s “Self-Portrait in a Convex Mirror”, and Desmond Kon Zhicheng-Mingdé’s The Wrong/Wrung Side of Love. …”
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Adaptasi kesusasteraan rakyat (cerita Si Luncai) dalam karya seni cetakan / Hazrul Mazran Rusli dan Abdul Aziz Zali @ Zalay by Hazrul Mazran, Rusli, Abdul Aziz, Zali @ Zalay

“…Penyelidikan ini menggunakan gabungan pendekatan Teori Adaptasi oleh Desmond & Hawkes (2006) dan kaedah ekplorasi visual yang diperkenalkan oleh O’Grady J. & K (2009). …”
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Eighteenth-century women writers and the tradition of epistolary complaint by Garner-Mack, N

“…Chapter 3 discusses Charlotte Turner Smith’s engagement with the theme of suicide in her Elegiac Sonnets (1784) and her epistolary novel, Desmond(1792). Chapter 4 considers the strategies employed in Mary Robinson’s autobiographical, poetic, and fictional writings, which work to move beyond the moral fall the tradition implied. …”

In-silico approach towards identification of inhibitor for cholesteryl ester transfer protein (CETP): A novel strategy by Suraya Abdul Sani, J. Emsley, T.J. Khoo

“…The molecular dynamic simulation are being carried out by Desmond (Schrodinger inc) by using the ligand-protein complexes from the docking results. …”
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Chemo-informatics applications in the design of novel 7-keto-sempervirol derivatives as SmCB1 inhibitors with potential for treatment of Schistosomiasis by Salim Bitrus Anyubaga, Gideon Adamu Shallangwa, Adamu Uzairu, Stephen Eyije Abechi

“…Furthermore, docking evaluation fulfilled ranges from −113.121 to −100.79 kcal/mol (moldock score), with compound U1 being the best (least moldock score of −113.121 compared to PZQ and 15* (template) having a moldock score value of (−87.21 and −83.37 kcal/mol). 100-ns MD Simulation on the U1-docked complex was run using Desmond 2019–4 package. The nature and steadiness of U1 compound within the enzyme active site was further confirmed by RMSD, RMSF, RoG and H-bond assessment. …”
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Qualitative Identification of Intervention Preferences to Support Men’s Engagement and Retention in TB Care in South Africa by Andrew Medina-Marino, Dana Bezuidenhout, Nondumiso Ngcelwane, Morna Cornell, Milton Wainberg, Chris Beyrer, Linda-Gail Bekker, Joseph Daniels

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In Silico Investigation of a Chimeric IL24-LK6 Fusion Protein as a Potent Candidate Against Breast Cancer by Hafiz Muhammad Rehman, Hafiz Muzzammel Rehman, Muhammad Naveed, Muhammad Tahir Khan, Muhammad Aqib Shabbir, Shakira Aslam, Hamid Bashir

“…Finally, the docking and simulation studies were performed using HADDOCK and Desmond module of Schrodinger. The quality, validity, interaction analysis, and stability of the fusion protein depict a functional molecule. …”
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