Detalhe da pesquisa
1.
Variational implicit-solvent predictions of the dry-wet transition pathways for ligand-receptor binding and unbinding kinetics.
Proc Natl Acad Sci U S A
; 116(30): 14989-14994, 2019 07 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31270236
2.
Prediction of multiple dry-wet transition pathways with a mesoscale variational approach.
J Chem Phys
; 155(12): 124110, 2021 Sep 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34598586
3.
Hybrid finite element and Brownian dynamics method for charged particles.
J Chem Phys
; 144(16): 164107, 2016 Apr 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-27131531
4.
Stochastic level-set variational implicit-solvent approach to solute-solvent interfacial fluctuations.
J Chem Phys
; 145(5): 054114, 2016 Aug 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-27497546
5.
LS-VISM: A software package for analysis of biomolecular solvation.
J Comput Chem
; 36(14): 1047-59, 2015 May 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-25766844
6.
Ionic Size Effects: Generalized Boltzmann Distributions, Counterion Stratification, and Modified Debye Length.
Nonlinearity
; 26(10): 2899-2922, 2013 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-24465094
7.
Hysteresis and linear stability analysis on multiple steady-state solutions to the Poisson-Nernst-Planck equations with steric interactions.
Phys Rev E
; 102(5-1): 053301, 2020 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-33327140
8.
MEAN-FIELD THEORY AND COMPUTATION OF ELECTROSTATICS WITH IONIC CONCENTRATION DEPENDENT DIELECTRICS.
Commun Math Sci
; 14(1): 249-271, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26877718
9.
Numerical Treatment of Stokes Solvent Flow and Solute-Solvent Interfacial Dynamics for Nonpolar Molecules.
J Sci Comput
; 67(2): 705-723, 2016 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-27365866
10.
STABILITY OF A CYLINDRICAL SOLUTE-SOLVENT INTERFACE: EFFECT OF GEOMETRY, ELECTROSTATICS, AND HYDRODYNAMICS.
SIAM J Appl Math
; 75(3): 907-928, 2015.
Artigo
em Inglês
| MEDLINE | ID: mdl-26877555
11.
Identification of protein-ligand binding sites by the level-set variational implicit-solvent approach.
J Chem Theory Comput
; 11(2): 753-65, 2015 Feb 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-25941465
12.
Poisson-Boltzmann versus Size-Modified Poisson-Boltzmann Electrostatics Applied to Lipid Bilayers.
J Phys Chem B
; 118(51): 14827-32, 2014 Dec 26.
Artigo
em Inglês
| MEDLINE | ID: mdl-25426875
13.
Variational Implicit Solvation with Poisson-Boltzmann Theory.
J Chem Theory Comput
; 10(4): 1454-1467, 2014 Apr 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-24803864
14.
Motion of a Cylindrical Dielectric Boundary.
SIAM J Appl Math
; 73(1): 594-616, 2013.
Artigo
em Inglês
| MEDLINE | ID: mdl-23885130
15.
Variational Implicit-Solvent Modeling of Host-Guest Binding: A Case Study on Cucurbit[7]uril|
J Chem Theory Comput
; 9(9): 4195-4204, 2013 Sep 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-24039554
16.
Competitive adsorption and ordered packing of counterions near highly charged surfaces: From mean-field theory to Monte Carlo simulations.
Phys Rev E Stat Nonlin Soft Matter Phys
; 85(4 Pt 1): 041406, 2012 Apr.
Artigo
em Inglês
| MEDLINE | ID: mdl-22680474
17.
Mean-field description of ionic size effects with nonuniform ionic sizes: a numerical approach.
Phys Rev E Stat Nonlin Soft Matter Phys
; 84(2 Pt 1): 021901, 2011 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-21929014