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1.
Unsupervised and supervised AI on molecular dynamics simulations reveals complex characteristics of HLA-A2-peptide immunogenicity.
Brief Bioinform
; 25(1)2023 11 22.
Article
in English
| MEDLINE | ID: mdl-38233090
2.
Developing semi-empirical water model for efficiently simulating temperature-dependent chemisorption of CO2 in amine solvents.
Phys Chem Chem Phys
; 26(4): 3540-3547, 2024 Jan 24.
Article
in English
| MEDLINE | ID: mdl-38214052
3.
Stable Cell Clones Harboring Self-Replicating SARS-CoV-2 RNAs for Drug Screen.
J Virol
; 96(6): e0221621, 2022 03 23.
Article
in English
| MEDLINE | ID: mdl-35080424
4.
Highly Efficient CO2/C2H2 Separation by Porous Graphene via Quadrupole Gating Mechanism.
Langmuir
; 39(25): 8638-8645, 2023 Jun 27.
Article
in English
| MEDLINE | ID: mdl-37320857
5.
Topological Design of Unprecedented Metal-Organic Frameworks Featuring Multiple Anion Functionalities and Hierarchical Porosity for Benchmark Acetylene Separation.
Angew Chem Int Ed Engl
; 62(37): e202309925, 2023 Sep 11.
Article
in English
| MEDLINE | ID: mdl-37458603
6.
Crystal-structures-guided design of fragment-based drugs for inhibiting the main protease of SARS-CoV-2.
Proteins
; 90(5): 1081-1089, 2022 05.
Article
in English
| MEDLINE | ID: mdl-34636446
7.
Nanopores in Atomically Thin 2D Nanosheets Limit Aqueous Single-Stranded DNA Transport.
Phys Rev Lett
; 127(13): 138103, 2021 Sep 24.
Article
in English
| MEDLINE | ID: mdl-34623840
8.
Structure-Function Analysis of Resistance to Bamlanivimab by SARS-CoV-2 Variants Kappa, Delta, and Lambda.
J Chem Inf Model
; 61(10): 5133-5140, 2021 10 25.
Article
in English
| MEDLINE | ID: mdl-34648284
9.
Targeting Proteases for Treating COVID-19.
J Proteome Res
; 19(11): 4316-4326, 2020 11 06.
Article
in English
| MEDLINE | ID: mdl-33090793
10.
Structure-based lead optimization of herbal medicine rutin for inhibiting SARS-CoV-2's main protease.
Phys Chem Chem Phys
; 22(43): 25335-25343, 2020 Nov 21.
Article
in English
| MEDLINE | ID: mdl-33140777
11.
Atomic-Scale Fluidic Diodes Based on Triangular Nanopores in Bilayer Hexagonal Boron Nitride.
Nano Lett
; 19(2): 977-982, 2019 02 13.
Article
in English
| MEDLINE | ID: mdl-30628792
12.
Combined Computational-Experimental Approach to Explore the Molecular Mechanism of SaCas9 with a Broadened DNA Targeting Range.
J Am Chem Soc
; 141(16): 6545-6552, 2019 04 24.
Article
in English
| MEDLINE | ID: mdl-30924644
13.
Exploring the binding mechanism between human profilin (PFN1) and polyproline-10 through binding mode screening.
J Chem Phys
; 150(1): 015102, 2019 Jan 07.
Article
in English
| MEDLINE | ID: mdl-30621420
14.
Glassy dynamics in mutant huntingtin proteins.
J Chem Phys
; 149(7): 072333, 2018 Aug 21.
Article
in English
| MEDLINE | ID: mdl-30134683
15.
High-Curvature Nanostructuring Enhances Probe Display for Biomolecular Detection.
Nano Lett
; 17(2): 1289-1295, 2017 02 08.
Article
in English
| MEDLINE | ID: mdl-28075594
16.
Emerging ß-Sheet Rich Conformations in Supercompact Huntingtin Exon-1 Mutant Structures.
J Am Chem Soc
; 139(26): 8820-8827, 2017 07 05.
Article
in English
| MEDLINE | ID: mdl-28609090
17.
Structural perturbations on huntingtin N17 domain during its folding on 2D-nanomaterials.
Nanotechnology
; 28(35): 354001, 2017 Sep 01.
Article
in English
| MEDLINE | ID: mdl-28649967
18.
A novel self-activation mechanism of Candida antarctica lipase B.
Phys Chem Chem Phys
; 19(24): 15709-15714, 2017 Jun 21.
Article
in English
| MEDLINE | ID: mdl-28589990
19.
Bio-nano interactions detected by nanochannel electrophoresis.
Electrophoresis
; 37(15-16): 2190-5, 2016 08.
Article
in English
| MEDLINE | ID: mdl-27334561
20.
DNA translocation through single-layer boron nitride nanopores.
Soft Matter
; 12(3): 817-23, 2016 Jan 21.
Article
in English
| MEDLINE | ID: mdl-26537824