In-silico study of E169G and F242K double mutations in leucine-rich repeats (LRR) polygalacturonase inhibiting protein (PGIP) of Gossypium barbadense and associated defense mechani... by Sneha Murmu, Mayank Rashmi, Dipak T. Nagrale, Tejasman Kour, Mahender Kumar Singh, Anurag Chaurasia, Santosh Kumar Behera, Raja Shankar, Rajiv Ranjan, Girish Kumar Jha, Shailesh P. Gawande, Neelakanth S. Hiremani, Y. G. Prasad, Sunil Kumar

Get full text

Comparative Modeling and Molecular Dynamics Simulation of Substrate Binding in Human Fatty Acid Synthase: Enoyl Reductase and β-Ketoacyl Reductase Catalytic Domains by Arun John, Vetrivel Umashankar, Subramanian Krishnakumar, Perinkulam Ravi Deepa

Get full text

Preparation and Characterization of Rosa roxburghii Tratt Polyphenol-Sodium Alginate-Soy Protein Isolate Nanocomposites and Their Antioxidant Activity by Han LIU, Xiaoyan LIU, Yinping GUO, Xingyan MU, Zihui SHI

Get full text

Cutting-edge Bioinformatics strategies for synthesizing Cyclotriazadisulfonamide (CADA) analogs in next-Generation HIV therapies by Jay Gabriel B. Larga, Wrynan T. Munabirul, Abu Tayab Moin, Md Maisum Sarwar Jyoti, Mst Sanjida Nasrin, Minhaz Abdullah Al Mueid, Abdul Ahad, Anwar Parvez, Mst Sabrina Yeasmin, Rupali M. Barhate, Rajesh B. Patil, Margel C. Bonifacio

Get full text

Lopinavir and Ritonavir have High Affinity Toward the SARS-CoV-2 S-protein Receptor-binding Domain Sequenced in Brazil by Aline Diogo Marinho, Helyson Lucas Bezerra Braz, João Alison de Moraes Silveira, Danilo Galvão Rocha, Roberta Jeane Bezerra Jorge, Geanne Matos de Andrade

Get full text

DockCADD: A streamlined in silico pipeline for the identification of potent ribosomal S6 Kinase 2 (RSK2) inhibitors by El Mehdi Karim, Meriem Khedraoui, Abdelkbir Errougui, Yasir S. Raouf, Abdelouahid Samadi, Samir Chtita

Get full text

Synthesis of Some Metal Complexes with New Heterocyclic Ligand (5-(((2-(3-(1<i>H</i>-indol-3-yl)acryloyl)phenyl)amino)methylene)-2-thiooxodihydropyrimidine-4,6(1<i>H</i>,5<i>H</i>)... by Thanaa Abdul Ameer Hilal, Ibtihal Kadhim Kareem

Get full text

<i>Tribulus terrestris</i> Fruit Extract: Bioactive Compounds, ADMET Analysis, and Molecular Docking with Penicillin-Binding Protein 2a Transpeptidase of Methicillin-Resistant <i>S... by Khalid J. Alzahrani

Get full text

Synthesis and Docking Studies of the Novel N-(2,2-Di(1H-pyrrol-2-yl)ethyl)adamantane-1-carboxamide, a Potential 11β-HSD1 Inhibitor by Salvador Gallardo-Alfonzo, Ana Lilia Ocampo-Néstor, Claudia Contreras-Celedón, Luis Chacón-García

Get full text

UHPLC-QTOF-MS/MS profiling, molecular networking, and molecular docking analysis of Gliricidia sepium (Jacq.) Kunth. ex. Walp. stem ethanolic extract and its gastroprotective effec... by Aya A. Wafaey, Seham S. El-Hawary, Osama G. Mohamed, Sahar S. Abdelrahman, Alaa M. Ali, Ahmed A. El-Rashedy, Mohamed F. Abdelhameed, Farid N. Kirollos

Get full text

Structure-Based Virtual Screening, Docking, ADMET, Molecular Dynamics, and MM-PBSA Calculations for the Discovery of Potential Natural SARS-CoV-2 Helicase Inhibitors from the Tradi... by Ahmed M. Metwaly, Alaa Elwan, Abdul-Aziz M. M. El-Attar, Sara T. Al-Rashood, Ibrahim H. Eissa

Get full text

What Will the Architect Be Doing Next? How is the profession of the architect evolving as the focus of society shifts from sustainability to resilience or reactivist-driven design... by Alexander Mooi

Get full text

Matter generates the idea: experiments in the architectural education by Fausto Novi, Andrea Giachetta, Chiara Piccardo

Get full text

Enhanced Power Conversion Efficiency of P3HT : PC71BM Bulk Heterojunction Polymer Solar Cells by Doping a High-Mobility Small Organic Molecule by Hanyu Wang, Xiao Wang, Pu Fan, Xin Yang, Junsheng Yu

Get full text

A Bayesian phase 2 model based adaptive design to optimise antivenom dosing: Application to a dose-finding trial for a novel Russell's viper antivenom in Myanmar. by James A Watson, Thomas Lamb, Jane Holmes, David A Warrell, Khin Thida Thwin, Zaw Lynn Aung, Min Zaw Oo, Myat Thet Nwe, Frank Smithuis, Elizabeth A Ashley

Get full text

Modeling and Control of Complex Dynamic Systems 2013 by Zhiwei Gao, Dexing Kong, Chuanhou Gao, Michael Chen

Get full text

Structural, CSD, Molecular Docking, Molecular Dynamics, and Hirshfeld Surface Analysis of a New Mesogen, Methyl-4-(5-(4-(octyloxy)phenyl)-1,2,4-oxadiazol-3-yl)benzoate by Pooja Mohandas, Abdul Ajees Abdul Salam, Thripthi Nagesh Shenoy, Srinivasulu Maddasani, Santanu Kumar Pal, Channabasaveshwar V. Yelamaggad

Get full text

In silico binding role of flavonoids as SARS-CoV-2 main protease (Mpro) inhibitors: A dataset of molecular docking simulation-based high-throughput virtual screening (HTVS)Mendeley... by Mariyam Eema, Vasudeva Rao Avupati

Get full text

Effect of P doped bimetallic FeCo catalysts on carbon matrix for oxygen reduction in alkaline media by Yuqi Ma, Hyo-Jin Ahn

Get full text

In Situ Modulation of NiFeOOH Coordination Environment for Enhanced Electrocatalytic‐Conversion of Glucose and Energy‐Efficient Hydrogen Production by Ning Wei, Sufeng Zhang, Xue Yao, Qinglu Li, Nan Li, Jinrui Li, Dingjie Pan, Qiming Liu, Shaowei Chen, Scott Renneckar

Get full text