Detalhe da pesquisa
1.
NMR and MD Analysis of the Bonding Interaction of Vancomycin with Muramyl Pentapeptide.
Int J Mol Sci
; 23(3)2022 Jan 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-35163070
2.
Prediction of protein assemblies, the next frontier: The CASP14-CAPRI experiment.
Proteins
; 89(12): 1800-1823, 2021 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-34453465
3.
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13.
J Chem Inf Model
; 60(3): 1844-1864, 2020 03 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-31999919
4.
The Quaternization Reaction of 5-O-Sulfonates of Methyl 2,3-o-Isopropylidene-ß-D-Ribofuranoside With Selected Heterocyclic and Aliphatic Amines.
Molecules
; 25(9)2020 May 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-32380736
5.
Performance of protein-structure predictions with the physics-based UNRES force field in CASP11.
Bioinformatics
; 32(21): 3270-3278, 2016 11 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-27378298
6.
Lessons from application of the UNRES force field to predictions of structures of CASP10 targets.
Proc Natl Acad Sci U S A
; 110(37): 14936-41, 2013 Sep 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-23980156
7.
Interactions of vasopressin and oxytocin receptors with vasopressin analogues substituted in position 2 with 3,3'-diphenylalanine--a molecular docking study.
J Pept Sci
; 19(2): 118-26, 2013 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-23303737
8.
Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions.
Front Mol Biosci
; 9: 1071428, 2022.
Artigo
em Inglês
| MEDLINE | ID: mdl-36589235
9.
Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment.
J Mol Graph Model
; 108: 108008, 2021 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34419932
10.
Molecular dynamics study of the internal water molecules in vasopressin and oxytocin receptors.
Protein Pept Lett
; 16(4): 342-50, 2009.
Artigo
em Inglês
| MEDLINE | ID: mdl-19356129
11.
Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer.
J Phys Chem B
; 123(37): 7829-7839, 2019 09 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-31454484
12.
Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment.
J Mol Graph Model
; 92: 154-166, 2019 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-31376733
13.
Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets.
J Mol Graph Model
; 83: 92-99, 2018 08.
Artigo
em Inglês
| MEDLINE | ID: mdl-29860162
14.
An analysis and evaluation of the WeFold collaborative for protein structure prediction and its pipelines in CASP11 and CASP12.
Sci Rep
; 8(1): 9939, 2018 07 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-29967418
15.
Molecular docking-based study of vasopressin analogues modified at positions 2 and 3 with N-methylphenylalanine: influence on receptor-bound conformations and interactions with vasopressin and oxytocin receptors.
J Med Chem
; 49(8): 2463-9, 2006 Apr 20.
Artigo
em Inglês
| MEDLINE | ID: mdl-16610789
16.
Molecular modeling of the neurohypophyseal receptor/atosiban complexes.
Protein Pept Lett
; 10(3): 295-302, 2003 Jun.
Artigo
em Inglês
| MEDLINE | ID: mdl-12871142
17.
Molecular modeling of Gram-positive bacteria peptidoglycan layer, selected glycopeptide antibiotics and vancomycin derivatives modified with sugar moieties.
Carbohydr Res
; 389: 154-64, 2014 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24685455
18.
A unified coarse-grained model of biological macromolecules based on mean-field multipole-multipole interactions.
J Mol Model
; 20(8): 2306, 2014 Aug.
Artigo
em Inglês
| MEDLINE | ID: mdl-25024008
19.
Conformational stability of the full-atom hexameric model of the ClpB chaperone from Escherichia coli.
Biopolymers
; 93(1): 47-60, 2010 Jan.
Artigo
em Inglês
| MEDLINE | ID: mdl-19714768
20.
Influence of bulky 3,3'-diphenylalanine enantiomers replacing position 2 of AVP analogues on their conformations: NMR and molecular modeling studies.
Eur J Med Chem
; 45(9): 4065-73, 2010 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-20580135