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· publication by Schrödinger author
Atomistic simulations of the Escherichia coli ribosome provide selection criteria for translationally active substrates
Zoe L. Watson, Isaac J. Knudson, Fred R. Ward, Scott J. Miller, Jamie H. D. Cate, Alanna Schepartz & Ara M. Abramyan
Small Molecule Drug Discovery
Redesigning an (R)-Selective Transaminase for the Efficient Synthesis of Pharmaceutical N-Heterocyclic Amines
Fulong Li, Yan Du, Youxiang Liang, Yuwen Wei, Yukun Zheng, and Huimin Yu
Materials Science
Antibacterial, Antioxidant, and in silico NADPH Oxidase Inhibition Studies of Essential Oils of Lavandula dentata against Foodborne Pathogens
"Youness El Abdali, Ghada Beniaich, Adil M. Mahraz, Abdelfattah El Moussaoui, Yousef A. Bin Jardan, Mohamed Akhazzane, Mohamed Chebaibi, Hiba-Allah Nafdi, Noureddine Eloutassi, Mohammed Bourhia, and Abdelhak Bouia"
Materials Science
Structure-based assessment and druggability classification of protein–protein interaction sites
Lara Alzyoud, Richard A. Bryce, Mohammad Al Sorkhy, Noor Atatreh & Mohammad A. Ghattas
Small Molecule Drug Discovery
Effect of artificial sweetener saccharin on lysozyme aggregation: A combined spectroscopic and in silico approach
Rushali Dudure, Kapil Ganorkar, Vishal Beldar, Sujit Kumar Ghosh, Alok Kumar Panda, Manojkumar Jadhao
Materials Science
·Shearing Friction Behaviour of Synthetic Polymers Compared to a Functionalized Polysaccharide on Biomimetic Surfaces: Models for the Prediction of Performance of Eco-designed Formulations
Benjamin J. Coscia, John C. Shelley, Andrea R. Browning, Jeffrey M. Sanders, Robin Chaudret, Roger Rozot, Fabien Léonforte, Mathew D. Halls and Gustavo S. Luengo
Materials Science
The influence of axial fluorination of SubPc on the photoresponse performances of small-molecule organic photodiodes
Feifei Fang, Daiki Minami, Sungyoung Yun, Chul-Joon Heo, Hiromasa Shibuya, Hyerim Hong, Byoungki Choi and Kyung-Bae Park
Materials Science
Free charge photogeneration in a single component high photovoltaic efficiency organic semiconductor
Michael B. Price, Paul A. Hume, Aleksandra Ilina, Isabella Wagner, Ronnie R. Tamming, Karen E. Thorn, Wanting Jiao, Alison Goldingay, Patrick J. Conaghan, Girish Lakhwani, Nathaniel J. L. K. Davis, Yifan Wang, Peiyao Xue, Heng Lu, Kai Chen, Xiaowei Zhan &
Materials Science
QC and MD Modelling for Predicting the Electrochemical Stability Window of Electrolytes: New Estimating Algorithm
Yuri A. Dobrovolsky, Margarita G. Ilyina, Elizaveta Y. Evshchik, Edward M. Khamitov, Alexander V. Chernyak, Anna V. Shikhovtseva, Tatiana I. Melnikova, Olga V. Bushkova and Sophia S. Borisevich
Materials Science
Algorithm for Theoretical Assessment of the Electrochemical Stability of Electrolytes in Lithium-Ion Batteries by the Example of LiBF4 in the EC/DMC Mixture
S. S. Borisevich, E. Yu. Evshchik, M. G. Il’ina, E. M. Khamitov, T. I. Mel’nikova, R. Yu. Rubtsov, O. V. Bushkova & Yu. A. Dobrovol’skii
Materials Science
Construction of Bio-conjugated nano-vesicles using non-ionic surfactants for targeted drug delivery: A computational supported experimental study
Alireza Poustforoosh, Sanaz Farmarz, Mohammad Hadi Nematollhi, Hassan Hashemipour, Abbas Pardakhty
Materials Science
Drug-Carrier Miscibility in Solid Dispersions of Glibenclamide and a Novel Approach to Enhance Its Solubility Using an Effervescent Agent
Muralidhar Pisay, K. Vijaya Bhaskar, Chetan Hasmukh Mehta, Usha Yogendra Nayak, Kunnatur Balasundara Koteshwara & Srinivas Mutalik