Browsing by Subject "0307 Theoretical and Computational Chemistry"

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Title: A Global Review on Short Peptides: Frontiers and Perspectives Author: Apostolopoulos, Vasso ; Bojarska, Joanna ; Chai, Tsun-Thai ; Elnagdy, Sherif ; Kaczmarek, Krzysztof ; Matsoukas, John ; New, Roger ; Parang, Keykavous ; Lopez, Octavio Paredes ; Parhiz, Hamideh ; Perera, Conrad O ; Pickholz, Monica ; Remko, Milan ; Saviano, Michele ; Skwarczynski, Mariusz ; Tang, Yefeng ; Wolf, Wojciech M ; Yoshiya, Taku ; Zabrocki, Janusz ; Zielenkiewicz, Piotr ; AlKhazindar, Maha ; Barriga, Vanessa ; Kelaidonis, Konstantinos ; Sarasia, Elham Mousavinezhad ; Toth, Istvan Reference: Molecules 26(2) 15 Jan 2021
Title: A method to explore protein side chain conformational variability using experimental data. Author: Allison, Jane R ; van Gunsteren, Wilfred F Reference: (2009). ChemPhysChem: a European journal of chemical physics and physical chemistry, 10(18), 3213-3228.
Title: A Simple, Robust, and Convenient HPLC Assay for Urinary Lactulose and Mannitol in the Dual Sugar Absorption Test Author: Sequeira, Ivana R ; Kruger, Marlena C ; Hurst, Roger D ; Lentle, Roger G Reference: (2022). Molecules, 27(9), 2677-.
Title: Beta-Amyloid (Aβ1-42) Increases the Expression of NKCC1 in the Mouse Hippocampus Author: Lam, Patricia ; Vinnakota, Chitra ; Guzmán, Beatriz Calvo-Flores ; Newland, Julia ; Peppercorn, Katie ; Tate, Warren P ; Waldvogel, Henry J ; Faull, Richard LM ; Kwakowsky, Andrea Reference: (2022). Molecules, 27(8), 2440-.
Title: Bioactive Components and Anticancer Activities of Spray-Dried New Zealand Tamarillo Powder. Author: Liu, Qian ; Hamid, Nazimah ; Liu, Ye ; Kam, Rothman ; Kantono, Kevin ; Wang, Kelvin ; Lu, Jun Reference: (2022). Molecules, 27(9), 2687-.
Title: Boron calixphyrin complexes: exploring the coordination chemistry of a BODIPY/porphyrin hybrid. Author: Tay, Aaron Chin Yit ; Frogley, Benjamin J ; Ware, David C ; Brothers, Penelope J Reference: (2018). Dalton Transactions: an international journal of inorganic chemistry, 47(10), 3388-3399.
Title: Combination of Passive and Active Solar Heating with Thermal Energy Storage. Author: Thangam, Andreas ; Auckaili, Amar ; Farid, Mohammed Reference: (2022). Molecules, 27(14), 4386-.
Title: Comparative studies on in vitro antitumor activities and apoptosis-inducing effects of enantiomeric ruthenium(II) complexes Author: Jiang, Jianrong ; Chen, Qian ; Huan, Tianwen ; Nie, Yanhong ; Dai, Zhongming ; Li, Dujuan ; Xu, Xu ; Lu, Jun ; Hu, Zhangli ; Xu, Hong Reference: (2023). Dalton Transactions, 52(40), 14338-14349.
Title: Computational methods for exploring protein conformations. Author: Allison, Jane R Reference: (2020). Biochemical Society Transactions, 48(4), 1707-1724.
Title: Conjugation of Palbociclib with MHI-148 Has an Increased Cytotoxic Effect for Breast Cancer Cells and an Altered Mechanism of Action. Author: Choi, Peter Jaein ; Tomek, Petr ; Tercel, Moana ; Reynisson, Jóhannes ; Park, Thomas In Hyeup ; Cooper, Elizabeth Alexandra ; Denny, William Alexander ; Jose, Jiney ; Leung, Euphemia Reference: Molecules (Basel, Switzerland) 27(3):27 Jan 2022
Title: Covalently Immobilized Battacin Lipopeptide Gels with Activity against Bacterial Biofilms. Author: De Zoysa, Gayan Heruka ; Wang, Kelvin ; Lu, Jun ; Hemar, Yacine ; Sarojini, Vijayalekshmi Reference: (2020). Molecules, 25(24), E5945-.
Title: Cyclic Glycine-Proline (cGP) Normalises Insulin-Like Growth Factor-1 (IGF-1) Function: Clinical Significance in the Ageing Brain and in Age-Related Neurological Conditions. Author: Guan, Jian ; Li, Fengxia ; Kang, Dali ; Anderson, Tim ; Pitcher, Toni ; Dalrymple-Alford, John ; Shorten, Paul ; Singh-Mallah, Gagandeep Reference: (2023). Molecules, 28(3), 1021-.
Title: Design, Synthesis and Anticancer Evaluation of Nitroimidazole Radiosensitisers Author: Liew, Lydia P ; Shome, Avik ; Wong, Way W ; Hong, Cho R ; Hicks, Kevin O ; Jamieson, Stephen MF ; Hay, Michael P Reference: (2023). Molecules, 28(11), 4457-.
Title: DNA-Binding Anticancer Drugs: One Target, Two Actions Author: Baguley, Bruce C ; Drummond, Catherine J ; Chen, Ying Yi ; Finlay, Graeme J Reference: (2021). Molecules, 26(3), 552-.
Title: Enantiomeric Variability of Distaminolyne A. Refinement of ECD and NMR Methods for Determining Optical Purity of 1-Amino-2-Alkanols. Author: Pearce, A Norrie ; Copp, Brent R ; Molinski, Tadeusz F Reference: (2018). Molecules, 24(1), 90-.
Title: Enantioselective Total Synthesis of (R,R)-Blumenol B and d9-(R,R)-Blumenol B Author: Tan, Shi Min ; Rees, Shaun WP ; Jelley, Rebecca E ; Wang, Jin ; Fedrizzi, Bruno ; Barker, David Reference: (n.d.). Molecules, 27(21), 7294-7294.
Title: Epipyrone A, a Broad-Spectrum Antifungal Compound Produced by Epicoccum nigrum ICMP 19927. Author: Lee, Alex J ; Cadelis, Melissa M ; Kim, Sang H ; Swift, Simon ; Copp, Brent R ; Villas-Boas, Silas G Reference: (2020). Molecules, 25(24), E5997-.
Title: GROMOS++ Software for the Analysis of Biomolecular Simulation Trajectories. Author: Eichenberger, Andreas P ; Allison, Jane R ; Dolenc, Jožica ; Geerke, Daan P ; Horta, Bruno AC ; Meier, Katharina ; Oostenbrink, Chris ; Schmid, Nathan ; Steiner, Denise ; Wang, Dongqi ; van Gunsteren, Wilfred F Reference: (2011). Journal of Chemical Theory and Computation, 7(10), 3379-3390.
Title: <i>N</i>-Butanol Subfraction of <i>Brassica Rapa</i> L. Promotes Reactive Oxygen Species Production and Induces Apoptosis of A549 Lung Adenocarcinoma Cells via Mitochondria-Dependent Pathway. Author: Aipire, Adila ; Chen, Qiuyan ; Cai, Shanshan ; Li, Jinyu ; Fu, Changshuang ; Ying, Tianlei ; Lu, Jun ; Li, Jinyao Reference: (2018). Molecules, 23(7), 1687-.
Title: Implicit Solvation Parameters Derived from Explicit Water Forces in Large-Scale Molecular Dynamics Simulations. Author: Kleinjung, Jens ; Scott, Walter RP ; Allison, Jane R ; van Gunsteren, Wilfred F ; Fraternali, Franca Reference: (2012). Journal of Chemical Theory and Computation, 8(7), 2391-2403.

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