Detalhe da pesquisa
1.
PEGDA hydrogel structure from semi-dilute concentrations: insights from experiments and molecular simulations.
Soft Matter
; 18(18): 3565-3574, 2022 May 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-35466967
2.
Molecular Dynamics-Guided Design of a Functional Protein-ATRP Conjugate That Eliminates Protein-Protein Interactions.
Bioconjug Chem
; 32(4): 821-832, 2021 04 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33784809
3.
Atomistic insight towards the impact of polymer architecture and grafting density on structure-dynamics of PEGylated bovine serum albumin and their applications.
J Chem Phys
; 154(7): 075101, 2021 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-33607915
4.
Structure-function-dynamics of α-chymotrypsin based conjugates as a function of polymer charge.
Soft Matter
; 16(2): 456-465, 2020 Jan 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-31803897
5.
Modeling Amorphous Microporous Polymers for CO2 Capture and Separations.
Chem Rev
; 118(11): 5488-5538, 2018 06 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-29812911
6.
PEGylation within a confined hydrophobic cavity of a protein.
Phys Chem Chem Phys
; 21(46): 25584-25596, 2019 Nov 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-31720639
7.
Polymer ultrapermeability from the inefficient packing of 2D chains.
Nat Mater
; 16(9): 932-937, 2017 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-28759030
8.
Ionic-Functionalized Polymers of Intrinsic Microporosity for Gas Separation Applications.
Langmuir
; 34(13): 3949-3960, 2018 04 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-29553745
9.
Intramolecular Interactions of Conjugated Polymers Mimic Molecular Chaperones to Stabilize Protein-Polymer Conjugates.
Biomacromolecules
; 19(9): 3798-3813, 2018 09 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30086223
10.
NLDFT Pore Size Distribution in Amorphous Microporous Materials.
Langmuir
; 33(42): 11138-11145, 2017 10 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-28829600
11.
Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics.
Soft Matter
; 13(8): 1634-1645, 2017 Feb 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-28133676
12.
Structural dynamics as a contributor to error-prone replication by an RNA-dependent RNA polymerase.
J Biol Chem
; 289(52): 36229-48, 2014 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25378410
13.
Ionomers of intrinsic microporosity: in silico development of ionic-functionalized gas-separation membranes.
Langmuir
; 30(40): 12039-48, 2014 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-25272236
14.
Morphology and molecular bridging in comb- and star-shaped diblock copolymers.
J Chem Phys
; 141(20): 204902, 2014 Nov 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-25429957
15.
Designing surface exposed sites on Bacillus subtilis lipase A for spin-labeling and hydration studies.
Biophys Chem
; 308: 107203, 2024 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-38382282
16.
Simulated swelling during low-temperature N2 adsorption in polymers of intrinsic microporosity.
Phys Chem Chem Phys
; 15(46): 20161-9, 2013 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-24162439
17.
Two-Dimensional Energy Histograms as Features for Machine Learning to Predict Adsorption in Diverse Nanoporous Materials.
J Chem Theory Comput
; 19(14): 4568-4583, 2023 Jul 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-36735251
18.
Correction to "Ionomers of Intrinsic Microporosity: In Silico Development of Ionic-Functionalized Gas-Separation Membranes".
Langmuir
; 33(24): 6203, 2017 06 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-28594562
19.
Temperature Effects in Flexible Adsorption Processes for Amorphous Microporous Polymers.
J Phys Chem B
; 126(33): 6354-6365, 2022 Aug 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-35969816
20.
Incorporating Flexibility Effects into Metal-Organic Framework Adsorption Simulations Using Different Models.
ACS Appl Mater Interfaces
; 13(51): 61305-61315, 2021 Dec 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-34927436