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1.
Exploring the Combined Action of Adding Pertuzumab to Branded Trastuzumab versus Trastuzumab Biosimilars for Treating HER2+ Breast Cancer.
Int J Mol Sci
; 25(7)2024 Apr 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-38612751
2.
Binding Affinity of Trastuzumab and Pertuzumab Monoclonal Antibodies to Extracellular HER2 Domain.
Int J Mol Sci
; 24(15)2023 Jul 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-37569408
3.
The Role of Key Amino Acids in the Antimicrobial Mechanism of a Bacteriocin Model Revealed by Molecular Simulations.
J Chem Inf Model
; 61(12): 6066-6078, 2021 12 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-34874722
4.
Bacteriocin AS-48 binding to model membranes and pore formation as revealed by coarse-grained simulations.
Biochim Biophys Acta
; 1828(11): 2524-31, 2013 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-23756777
5.
Exploring the dynamics and interaction of a full ErbB2 receptor and Trastuzumab-Fab antibody in a lipid bilayer model using Martini coarse-grained force field.
J Comput Aided Mol Des
; 28(11): 1093-107, 2014 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-25129484
6.
Dissimilar interaction of CB1/CB2 with lipid bilayers as revealed by molecular dynamics simulation.
Phys Chem Chem Phys
; 13(9): 3660-8, 2011 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-21173968
7.
Conformational analysis of short polar side-chain amino-acids through umbrella sampling and DFT calculations.
J Mol Model
; 22(11): 273, 2016 Nov.
Artículo
en Inglés
| MEDLINE | ID: mdl-27783230
8.
Simulation of homology models for the extracellular domains (ECD) of ErbB3, ErbB4 and the ErbB2-ErbB3 complex in their active conformations.
J Mol Model
; 19(2): 931-41, 2013 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-23090500
9.
Conformational flexibility of the ErbB2 ectodomain and trastuzumab antibody complex as revealed by molecular dynamics and principal component analysis.
J Mol Model
; 19(3): 1227-36, 2013 Mar.
Artículo
en Inglés
| MEDLINE | ID: mdl-23160933
10.
A Curtin-Hammett mechanism for the copolymerization of ethylene and methyl acrylate monomer using a PymNox nickel catalyst as revealed by DFT computational studies.
J Mol Model
; 18(2): 515-23, 2012 Feb.
Artículo
en Inglés
| MEDLINE | ID: mdl-21541739
11.
Assessment of the intrinsic conformational preferences of dipeptide amino acids in aqueous solution by combined umbrella sampling/MBAR statistics. A comparison with experimental results.
J Phys Chem B
; 116(1): 469-75, 2012 Jan 12.
Artículo
en Inglés
| MEDLINE | ID: mdl-22136632
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