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1.
eSkip-Finder: a machine learning-based web application and database to identify the optimal sequences of antisense oligonucleotides for exon skipping.
Nucleic Acids Res
; 49(W1): W193-W198, 2021 07 02.
Artículo
en Inglés
| MEDLINE | ID: mdl-34104972
2.
Coarse-Grained Diffraction Template Matching Model to Retrieve Multiconformational Models for Biomolecule Structures from Noisy Diffraction Patterns.
J Chem Inf Model
; 60(6): 2803-2818, 2020 06 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-32469517
3.
Force-field parametrization based on radial and energy distribution functions.
J Comput Chem
; 40(29): 2577-2585, 2019 11 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31343749
4.
Enhanced Coarse-Grained Molecular Dynamics Simulation with a Smoothed Hybrid Potential Using a Neural Network Model.
J Chem Theory Comput
; 20(1): 7-17, 2024 Jan 09.
Artículo
en Inglés
| MEDLINE | ID: mdl-38148034
5.
A morphometric approach for the accurate solvation thermodynamics of proteins and ligands.
J Comput Chem
; 34(23): 1969-74, 2013 Sep 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-23775361
6.
Structure-Based Affinity Maturation of Antibody Based on Double-Point Mutations.
Methods Mol Biol
; 2552: 323-331, 2023.
Artículo
en Inglés
| MEDLINE | ID: mdl-36346601
7.
Ensemble-Learning and Feature Selection Techniques for Enhanced Antisense Oligonucleotide Efficacy Prediction in Exon Skipping.
Pharmaceutics
; 15(7)2023 Jun 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-37513994
8.
Evaluation of protein-ligand binding free energy focused on its entropic components.
J Comput Chem
; 33(5): 550-60, 2012 Feb 15.
Artículo
en Inglés
| MEDLINE | ID: mdl-22162031
9.
Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis.
Sci Rep
; 10(1): 17590, 2020 10 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-33067496
10.
Improvement in predicting drug sensitivity changes associated with protein mutations using a molecular dynamics based alchemical mutation method.
Sci Rep
; 10(1): 2161, 2020 02 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-32034220
11.
Stabilization Mechanism for a Nonfibrillar Amyloid ß Oligomer Based on Formation of a Hydrophobic Core Determined by Dissipative Particle Dynamics.
ACS Chem Neurosci
; 11(3): 385-394, 2020 02 05.
Artículo
en Inglés
| MEDLINE | ID: mdl-31899612
12.
A prospective compound screening contest identified broader inhibitors for Sirtuin 1.
Sci Rep
; 9(1): 19585, 2019 12 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-31863054
13.
An iterative compound screening contest method for identifying target protein inhibitors using the tyrosine-protein kinase Yes.
Sci Rep
; 7(1): 12038, 2017 09 20.
Artículo
en Inglés
| MEDLINE | ID: mdl-28931921
14.
Kirkwood-Buff Integrals for Aqueous Urea Solutions Based upon the Quantum Chemical Electrostatic Potential and Interaction Energies.
J Phys Chem B
; 120(31): 7714-23, 2016 08 11.
Artículo
en Inglés
| MEDLINE | ID: mdl-27434200
15.
Author Correction: Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis.
Sci Rep
; 11(1): 18153, 2021 Sep 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-34493787
16.
Identification of potential inhibitors based on compound proposal contest: Tyrosine-protein kinase Yes as a target.
Sci Rep
; 5: 17209, 2015 Nov 26.
Artículo
en Inglés
| MEDLINE | ID: mdl-26607293
17.
ATP-induced conformational changes of nucleotide-binding domains in an ABC transporter. Importance of the water-mediated entropic force.
J Phys Chem B
; 118(44): 12612-20, 2014 Nov 06.
Artículo
en Inglés
| MEDLINE | ID: mdl-25302667
18.
The power stroke driven by ATP binding in CFTR as studied by molecular dynamics simulations.
J Phys Chem B
; 117(1): 83-93, 2013 Jan 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-23214920
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