Detalhe da pesquisa
1.
Plausible compounds drawn from plants as curative agents for neurodegeneration: An in-silico approach.
J Comput Aided Mol Des
; 34(9): 1003-1011, 2020 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32533371
2.
Computational investigation of impact of Pb(II) and Ni(II) ions on hUNG enzyme: insights from molecular dynamics simulations.
J Biomol Struct Dyn
; : 1-10, 2024 Jan 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-38279925
3.
Cracking a cancer code histone deacetylation in epigenetic: the implication from molecular dynamics simulations on efficacy assessment of histone deacetylase inhibitors.
J Biomol Struct Dyn
; 40(5): 2352-2368, 2022 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-33131428
4.
Impact of Cd(II) on the stability of human uracil DNA glycosylase enzyme; an implication of molecular dynamics trajectories on stability analysis.
J Biomol Struct Dyn
; 40(24): 14027-14034, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-34738875
5.
Kirkwood-Buff-Derived Force Field for Peptides and Proteins: Philosophy and Development of KBFF20.
J Chem Theory Comput
; 17(5): 2964-2990, 2021 May 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-33878263
6.
Structure and Dynamics of Collagen Hydration Water from Molecular Dynamics Simulations: Implications of Temperature and Pressure.
J Phys Chem B
; 123(23): 4901-4914, 2019 06 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-31117617
7.
Recent applications of Kirkwood-Buff theory to biological systems.
Cell Biochem Biophys
; 50(1): 1-22, 2008.
Artigo
em Inglês
| MEDLINE | ID: mdl-18043873
8.
Development of an Information System of Structures and Force Field Parameters of Chemical Compounds from Sri Lankan Flora.
Comb Chem High Throughput Screen
; 21(8): 550-556, 2018.
Artigo
em Inglês
| MEDLINE | ID: mdl-30306862
9.
Exploring the binding properties of agonists interacting with glucocorticoid receptor: an in silico approach.
J Mol Model
; 24(12): 342, 2018 Nov 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-30460461
10.
Rotational-Diffusion Propagator of the Intramolecular Proton-Proton Vector in Liquid Water: A Molecular Dynamics Study.
J Phys Chem B
; 121(48): 10893-10905, 2017 12 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-29136379
11.
A Kirkwood-Buff derived force field for methanol and aqueous methanol solutions.
J Phys Chem B
; 109(31): 15080-6, 2005 Aug 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-16852908
12.
Theory and Simulation of Multicomponent Osmotic Systems.
J Chem Theory Comput
; 8(10): 3493-3503, 2012 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-23329894
13.
Simulation of structural and functional properties of mevalonate diphosphate decarboxylase (MVD).
J Mol Model
; 16(3): 489-98, 2010 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-19653015
14.
A Kirkwood-Buff derived force field for the simulation of aqueous guanidinium chloride solutions.
J Chem Phys
; 121(5): 2180-6, 2004 Aug 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-15260772