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A fluorophore's electron-deficiency does matter in designing high-performance near-infrared fluorescent probes"Chem. Sci., 2020,11, 11205-11213"Periodicals：Chemical Science
Author：Pei-Yu Zhang
Time：2020-09-13
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Computational Prediction of Mutational Effects on SARS-CoV-2 Binding by Relative Free Energy CalculationsJ. Chem. Inf. Model. 2020, 60, 12, 5794–5802Periodicals：Journal of Chemical Information and Modeling
Author：Junjie Zou/Jian Yin et al.
Time：2020-07-28
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Prediction of the Relative Free Energies of Drug Polymorphs Above Zero KelvinCryst. Growth Des. 2020, 20, 8, 5211–5224Periodicals：Crystal Growth and Design
Author：Mingjun Yang et al.
Time：2020-07-01
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Computational Insights into Kinetic Hindrance Affecting Crystallization of Stable Forms of Active Pharmaceutical IngredientsCryst. Growth Des. 2020, 20, 3, 1512–1525Periodicals：Crystal Growth and Design
Author：Yuriy Abramov et al.
Time：2020-01-30
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Overcoming the difficulties of predicting conformational polymorph energetics in molecular crystals via correlated wavefunction methodsChem. Sci., 2020,11, 2200-2214Periodicals：Chemical Science
Author：Peiyu Zhang et al.
Time：2020-01-14
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Guiding Lead Optimization for Solubility Improvement with Physics-Based ModelingMol. Pharmaceutics 2020, 17, 2, 666–673 Publication Date:January 13, 2020Periodicals：Molecular pharmaceutics
Author：Mingjun Yang et al.
Time：2020-01-13
