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3 results in Keywords: chemical intuition

Materials Chemistry

Data-Driven Search Algorithm for Discovery of Synthesizable Zeolitic Imidazolate Frameworks

Soochan Lee, Hyein Jeong, Sungyeop Jung, Yeongjin Kim, Eunchan Cho, Joohan Nam, D. ChangMo Yang, Hyunchul Oh, Wonyoung Choe

Version 2 posted 06 August 2024

484

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Theoretical and Computational Chemistry

2019-nCoV vs. SARS-CoV: Which Truly Has a Higher ACE2 Affinity? A Quantum Chemical Perspective on Virus-Receptor Noncovalent Interactions

Nitai Sylvetsky

Version 1 posted 03 April 2020

662

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Theoretical and Computational Chemistry

Toward Simple, Predictive Understanding of Protein-Ligand Interactions: Electronic Structure Calculations Join Forces with the Chemist’s Intuition

Nitai Sylvetsky

Version 1 posted 11 March 2020

436

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