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4 results in Authors: Linh Le

Theoretical and Computational Chemistry

Synergy of Machine Learning and Density Functional Theory Calculations for Predicting Experimental Lewis Base Affinity and Lewis Polybase Binding Atoms

Hieu Huynh, Khanh Le, Linh Vu, Trang Nguyen, Matthew Holcomb, Stefano Forli, Hung Phan

Version 2 posted 01 February 2024

230

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Inorganic Chemistry

Cluster Models of FeMoco with Sulfide and Carbyne Ligands: Effect of Interstitial Atom in Nitrogenase Active Site

Linh Le, Gwendolyn Bailey, Anna Scott, Theodor Agapie

Version 1 posted 20 May 2021

551

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Biological and Medicinal Chemistry

Rapid Prediction of Possible Inhibitors for SARS-CoV-2 Main Protease using Docking and FPL Simulations

Pham Minh Quan, Khanh B. Vu, T. Ngoc Han Pham, Le Thi Thuy Huong, Linh Hoang Tran, Nguyen Thanh Tung, Van Vu, Trung Hai Nguyen, Son Tung Ngo

Version 2 posted 10 August 2020

810

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Beyond Molecular Structure: Critically Assessing Machine Learning for Designing Organic Photovoltaic Materials and Devices

Martin Seifrid, Stanley Lo, Dylan G. Choi, Gary Tom, My Linh Le, Kunyu Li, Rahul Sankar, Hoai-Thanh Vuong, Hiba Wakidi, Ahra Yi, Ziyue Zhu, Nora Schopp, Aaron Peng, Benjamin Luginbuhl, Thuc-Quyen Nguyen, Alán Aspuru-Guzik

Version 2 posted 01 April 2024

403

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