Force field benchmark of amino acids: I. hydration and diffusion in different water models H Zhang, C Yin, Y Jiang, D van der Spoel Journal of chemical information and modeling 58 (5), 1037-1052, 2018 | 93 | 2018 |
How synonymous mutations alter enzyme structure and function over long timescales Y Jiang, SS Neti, I Sitarik, P Pradhan, P To, Y Xia, SD Fried, SJ Booker, ... Nature Chemistry 15 (3), 308-318, 2023 | 55 | 2023 |
Rational design of methodology-independent metal parameters using a nonbonded dummy model Y Jiang, H Zhang, T Tan Journal of Chemical Theory and Computation 12 (7), 3250-3260, 2016 | 49 | 2016 |
Force field benchmark of amino acids. 2. Partition coefficients between water and organic solvents H Zhang, Y Jiang, Z Cui, C Yin Journal of Chemical Information and Modeling 58 (8), 1669-1681, 2018 | 47 | 2018 |
Free-energy calculations of ionic hydration consistent with the experimental hydration free energy of the proton H Zhang, Y Jiang, H Yan, C Yin, T Tan, D van der Spoel The Journal of Physical Chemistry Letters 8 (12), 2705-2712, 2017 | 46 | 2017 |
Electrostatic interactions govern extreme nascent protein ejection times from ribosomes and can delay ribosome recycling DA Nissley, QV Vu, F Trovato, N Ahmed, Y Jiang, MS Li, EP O’Brien Journal of the American Chemical Society 142 (13), 6103-6110, 2020 | 42 | 2020 |
Biophysical and molecular docking approaches for the investigation of biomolecular interactions between amphotericin B and bovine serum albumin M Raza, A Ahmad, F Yue, Z Khan, Y Jiang, Y Wei, S Raza, WW He, ... Journal of Photochemistry and Photobiology B: Biology 170, 6-15, 2017 | 41 | 2017 |
Universal protein misfolding intermediates can bypass the proteostasis network and remain soluble and less functional DA Nissley, Y Jiang, F Trovato, I Sitarik, KB Narayan, P To, Y Xia, ... Nature communications 13 (1), 3081, 2022 | 35 | 2022 |
Refined Dummy Atom Model of Mg2+ by Simple Parameter Screening Strategy with Revised Experimental Solvation Free Energy Y Jiang, H Zhang, W Feng, T Tan Journal of Chemical Information and Modeling 55 (12), 2575-2586, 2015 | 33 | 2015 |
Rational design of nonbonded point charge models for divalent metal cations with Lennard-Jones 12-6 potential Y Zhang, Y Jiang, J Peng, H Zhang Journal of Chemical Information and Modeling 61 (8), 4031-4044, 2021 | 30 | 2021 |
Comparative assessment of computational methods for free energy calculations of ionic hydration H Zhang, Y Jiang, H Yan, Z Cui, C Yin Journal of Chemical Information and Modeling 57 (11), 2763-2775, 2017 | 28 | 2017 |
Molecular mechanism of tobramycin with human serum albumin for probing binding interactions: multi-spectroscopic and computational approaches M Raza, Y Wei, Y Jiang, A Ahmad, S Raza, S Ullah, Y Han, QU Khan, ... New Journal of Chemistry 41 (16), 8203-8213, 2017 | 28 | 2017 |
Ribosome elongation kinetics of consecutively charged residues are coupled to electrostatic force SE Leininger, J Rodriguez, QV Vu, Y Jiang, MS Li, C Deutsch, EP O’Brien Biochemistry 60 (43), 3223-3235, 2021 | 24 | 2021 |
Lid Closure Mechanism of Yarrowia lipolytica Lipase in Methanol Investigated by Molecular Dynamics Simulation Y Jiang, L Li, H Zhang, W Feng, T Tan Journal of Chemical Information and Modeling 54 (7), 2033-2041, 2014 | 23 | 2014 |
Theoretical and Experimental Studies on Activity of Yarrowia lipolytica Lipase in Methanol/Water Mixtures L Li, Y Jiang, H Zhang, W Feng, B Chen, T Tan The Journal of Physical Chemistry B 118 (8), 1976-1983, 2014 | 21 | 2014 |
Insights from spectroscopic and in-silico techniques for the exploitation of biomolecular interactions between Human serum albumin and Paromomycin M Raza, Y Jiang, Y Wei, A Ahmad, A Khan, Y Qipeng Colloids and Surfaces B: Biointerfaces 157, 242-253, 2017 | 20 | 2017 |
Enhancement of methanol resistance of Yarrowia lipolytica lipase 2 using β-cyclodextrin as an additive: Insights from experiments and molecular dynamics simulation H Cao, Y Jiang, H Zhang, K Nie, M Lei, L Deng, F Wang, T Tan Enzyme and microbial technology 96, 157-162, 2017 | 18 | 2017 |
A water-dependent kinetics guide for complex lipase-mediated synthesis of biolubricants in a water activity control reactor Y Tao, G Chen, IV Pavlidis, Y Jiang, L Qie, C Cui, L Liu, B Chen, T Tan Catalysis Science & Technology 5 (12), 5120-5128, 2015 | 17 | 2015 |
Rational Design of Nonbonded Point Charge Models for Monovalent Ions with Lennard-Jones 12–6 Potential Y Qiu, Y Jiang, Y Zhang, H Zhang The Journal of Physical Chemistry B 125 (49), 13502-13518, 2021 | 14 | 2021 |
Rational Design of Nonbonded Point Charge Models for Highly Charged Metal Cations with Lennard-Jones 12-6 Potential Y Zhang, Y Jiang, Y Qiu, H Zhang Journal of Chemical Information and Modeling 61 (9), 4613-4629, 2021 | 14 | 2021 |