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Selective binding of small molecules to Vibrio cholerae DsbA offers a starting point for the design of novel antibacterials

Geqing Wang, Biswaranjan Mohanty, Martin Williams, Bradley Doak, Rabeb Dhouib, Makrina Totsika, Róisín Macmahon, Gaurav Sharma, Dan Zheng, Matthew Bentley, Yanni Ka-Yan Chin, James Horne, David Chalmers, Begona Heras, Martin Scanlon

Version 1 posted 07 October 2021

202

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Theoretical and Computational Chemistry

Working Paper

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Yilong Zhou, Sigbjorn Bore, Andrea Tao, Francesco Paesani, Gaurav Arya

Version 1 posted 04 April 2023

285

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Learning relationships between chemical and physical stability for drug development

Jonathan Fine, Prageeth R Wijewardhane, Sheik Dawood Beer Mohideen, Katelyn Smith, Jameson Bothe, Yogita Krishnamachari, Alexandra Andrews, Peter Wuelfing, Yong Liu, Gaurav Chopra

Version 1 posted 25 January 2022

546

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Materials Chemistry

Working Paper

Enigmatic Alternatives for Epoxides in Graphene Oxide

Gaurav Jhaa, Pattath D. Pancharatna, Musiri M. Balakrishnarajan

Version 1 posted 22 May 2023

146

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Biological and Medicinal Chemistry

Working Paper

Antiplasmodial diterpenoid alkaloid from Aconitum heterophyllum: Isolation, characterization, and UHPLC-DAD based quantification

Anmol -, Surekha Kumari, Rakesh Kumar, Raman Singh, Gaurav Aggarwal, Prakhar Agrawal, Dinkar Sahal, Upendra Sharma

Version 1 posted 26 October 2021

520

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Energy

Working Paper

Electrolytic seawater mineralization and how it ensures (net) carbon dioxide removal

Erika La Plante, Xin Chen, Steven Bustillos, Arnaud Bouissonnie, Thomas Traynor, David Jassby, Lorenzo Corsini, Dante Simonetti, Gaurav Sant

Version 1 posted 05 January 2023

3,163

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Theoretical and Computational Chemistry

Working Paper

ChatGPT in Drug Discovery

Gaurav Sharma, Abhishek Thakur

Version 1 posted 31 January 2023

7,419

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17

Citations

Materials Chemistry

Working Paper

Topological Impact of Delocalization on the Stability and Bandgap of Partially Oxidized Graphene

Gaurav Jhaa, Pattath D. Pancharatna, Musiri M. Balakrishnarajan

Version 1 posted 21 December 2022

140

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Agriculture and Food Chemistry

Review

Ozone Processing in the Dairy Sector: A review of applications, quality impact and implementation challenges

Pranav Vashisht, Digvijay Verma, Anto Pradeep Raja Charles, Gursharn Singh Saini, Sonali Sharma, Lovepreet Singh, Shikhadri Mahanta, Snehadri Mahanta, Khushi Singh, Gaurav Gaurav

Version 1 posted 01 December 2023

172

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4

Citations

Theoretical and Computational Chemistry

Working Paper

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

Gaurav Vishwakarma, Mojtaba Haghighatlari, Johannes Hachmann

Version 1 posted 09 September 2019

941

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5

Citations

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68 results in Gaurav Gaurav in Authors: Gaurav Gaurav

Selective binding of small molecules to Vibrio cholerae DsbA offers a starting point for the design of novel antibacterials

Many-body Potential for Simulating the Self-Assembly of Polymer-Grafted Nanoparticles in a Polymer Matrix

Learning relationships between chemical and physical stability for drug development

Enigmatic Alternatives for Epoxides in Graphene Oxide

Antiplasmodial diterpenoid alkaloid from Aconitum heterophyllum: Isolation, characterization, and UHPLC-DAD based quantification

Electrolytic seawater mineralization and how it ensures (net) carbon dioxide removal

ChatGPT in Drug Discovery

Topological Impact of Delocalization on the Stability and Bandgap of Partially Oxidized Graphene

Ozone Processing in the Dairy Sector: A review of applications, quality impact and implementation challenges

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

68 results in Authors: Gaurav Gaurav