Detalhe da pesquisa
1.
Sire: An interoperability engine for prototyping algorithms and exchanging information between molecular simulation programs.
J Chem Phys
; 160(20)2024 May 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38814008
2.
Ectopic cilia in 112 dogs: A multicenter retrospective study.
Vet Ophthalmol
; 25(2): 186-190, 2022 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-34821455
3.
Investigating Cryptic Binding Sites by Molecular Dynamics Simulations.
Acc Chem Res
; 53(3): 654-661, 2020 03 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-32134250
4.
Implementation of the QUBE Force Field in SOMD for High-Throughput Alchemical Free-Energy Calculations.
J Chem Inf Model
; 61(5): 2124-2130, 2021 05 24.
Artigo
em Inglês
| MEDLINE | ID: mdl-33886305
5.
Autologous lamellar keratoplasty for the treatment of feline corneal sequestrum: A retrospective study of 35 eyes (2012-2020).
Vet Ophthalmol
; 24(5): 491-502, 2021 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-34480401
6.
IL-15 Prevents Renal Fibrosis by Inhibiting Collagen Synthesis: A New Pathway in Chronic Kidney Disease?
Int J Mol Sci
; 22(21)2021 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-34769128
7.
BMAL1 Knockdown Leans Epithelial-Mesenchymal Balance toward Epithelial Properties and Decreases the Chemoresistance of Colon Carcinoma Cells.
Int J Mol Sci
; 22(10)2021 May 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-34065633
8.
Combining Virtual Reality Visualization with Ensemble Molecular Dynamics to Study Complex Protein Conformational Changes.
J Chem Inf Model
; 60(12): 6344-6354, 2020 12 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33180485
9.
Assessment of Binding Affinity via Alchemical Free-Energy Calculations.
J Chem Inf Model
; 60(6): 3120-3130, 2020 06 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-32437145
10.
Hybrid Alchemical Free Energy/Machine-Learning Methodology for the Computation of Hydration Free Energies.
J Chem Inf Model
; 60(11): 5331-5339, 2020 11 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-32639733
11.
The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
J Comput Aided Mol Des
; 34(5): 601-633, 2020 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-31984465
12.
Treatment of prolapsed gland and cartilage deformity of the nictitating membrane with pocket technique and chondrectomy alone, or combined with a wedge conjunctivectomy: 132 dogs (1998-2018).
Vet Ophthalmol
; 23(2): 305-313, 2020 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31746106
13.
Corneal epithelial inclusion cysts in 12 dogs (13 eyes) from 2010 to 2019: A multicentric retrospective study.
Vet Ophthalmol
; 23(5): 856-862, 2020 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-32738182
14.
Blinded predictions of standard binding free energies: lessons learned from the SAMPL6 challenge.
J Comput Aided Mol Des
; 32(10): 1047-1058, 2018 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-30159717
15.
Impact of domain knowledge on blinded predictions of binding energies by alchemical free energy calculations.
J Comput Aided Mol Des
; 32(1): 199-210, 2018 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-29134431
16.
Blinded predictions of host-guest standard free energies of binding in the SAMPL5 challenge.
J Comput Aided Mol Des
; 31(1): 61-70, 2017 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27503495
17.
Impact of Ser17 Phosphorylation on the Conformational Dynamics of the Oncoprotein MDM2.
Biochemistry
; 55(17): 2500-9, 2016 05 03.
Artigo
em Inglês
| MEDLINE | ID: mdl-27050388
18.
Elucidation of Ligand-Dependent Modulation of Disorder-Order Transitions in the Oncoprotein MDM2.
PLoS Comput Biol
; 11(6): e1004282, 2015 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-26046940
19.
Blinded predictions of distribution coefficients in the SAMPL5 challenge.
J Comput Aided Mol Des
; 30(11): 1101-1114, 2016 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-27677751
20.
Blinded predictions of binding modes and energies of HSP90-α ligands for the 2015 D3R grand challenge.
Bioorg Med Chem
; 24(20): 4890-4899, 2016 10 15.
Artigo
em Inglês
| MEDLINE | ID: mdl-27485604