Követés
Adolfo Poma, Dr. Hab.
Adolfo Poma, Dr. Hab.
További nevekAdolfo B. Poma
Group leader - Multiscale Modelling of Complex Systems at IPPT-PAN
E-mail megerősítve itt: ippt.pan.pl - Kezdőlap
Cím
Hivatkozott rá
Hivatkozott rá
Év
Novel 2019 Coronavirus Structure, Mechanism of Action, Antiviral drug promises and rule out against its treatment
S Boopathi, AB Poma, P Kolandaivel
Journal of Biomolecular Structure and Dynamics, 2020
7082020
Combining the MARTINI and structure-based coarse-grained approaches for the molecular dynamics studies of conformational transitions in proteins
AB Poma, M Cieplak, PE Theodorakis
Journal of Chemical Theory and Computation 13 (3), 1366-1374, 2017
2022017
Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling
AB Poma, L Delle Site
Physical Review Letters 104, 250201, 2010
902010
Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
M Koehler, A Ray, RA Moreira, B Juniku, AB Poma, D Alsteens
Nature communications 12 (1), 6977, 2021
732021
Characterization of structural and energetic differences between conformations of the SARS-CoV-2 spike protein
RA Moreira, HV Guzman, S Boopathi, JL Baker, AB Poma
Materials 13 (23), 5362, 2020
662020
Quantitative determination of mechanical stability in the novel coronavirus spike protein
RA Moreira, M Chwastyk, JL Baker, HV Guzman, AB Poma
Nanoscale 12, 16409-16413, 2020
592020
Polysaccharide–protein complexes in a coarse-grained model
AB Poma, M Chwastyk, M Cieplak
The Journal of Physical Chemistry B 119 (36), 12028-12041, 2015
432015
Coarse-grained model of the native cellulose and the transformation pathways to the allomorph
AB Poma, M Chwastyk, M Cieplak
Cellulose 23 (3), 1573-1591, 2016
422016
Adaptive resolution simulation of liquid para-hydrogen: testing the robustness of the quantum-classical adaptive coupling
AB Poma, L Delle Site
Physical Chemistry Chemical Physics 13 (22), 10510-10519, 2011
412011
Optimizing Gō-MARTINI coarse-grained model for F-BAR protein on lipid membrane
MI Mahmood, AB Poma, K Okazaki
Frontiers in molecular biosciences 8, 619381, 2021
382021
Mechanical and thermodynamic properties of Aβ42, Aβ40, and α-synuclein fibrils: a coarse-grained method to complement experimental studies
AB Poma, HV Guzman, MS Li, PE Theodorakis
Beilstein journal of nanotechnology 10 (1), 500-513, 2019
322019
Mapping mechanostable pulling geometries of a therapeutic anticalin/CTLA-4 protein complex
Z Liu, RA Moreira, A Dujmović, H Liu, B Yang, AB Poma, MA Nash
Nano letters 22 (1), 179-187, 2021
312021
Free energies of the disassembly of viral capsids from a multiscale molecular simulation approach
M Martínez, CD Cooper, AB Poma, HV Guzman
Journal of chemical information and modeling 60 (2), 974-981, 2019
292019
Elastic moduli of biological fibers in a coarse-grained model: Crystalline cellulose and β-amyloids
AB Poma, M Chwastyk, M Cieplak
Physical Chemistry Chemical Physics 19 (41), 28195-28206, 2017
292017
Statistical radii associated with amino acids to determine the contact map: fixing the structure of a type I cohesin domain in the Clostridium thermocellum cellulosome
M Chwastyk, A Poma Bernaola, M Cieplak
Physical Biology Volume 12 Number 4, 2015
282015
Differentiating between inactive and active states of rhodopsin by atomic force microscopy in native membranes
S Senapati, AB Poma, M Cieplak, S Filipek, PSH Park
Analytical chemistry 91 (11), 7226-7235, 2019
272019
Generalization of the elastic network model for the study of large conformational changes in biomolecules
AB Poma, MS Li, PE Theodorakis
Physical Chemistry Chemical Physics 20 (25), 17020-17028, 2018
262018
GōMartini 3: from large conformational changes in proteins to environmental bias corrections
PCT Souza, L Borges-Araújo, C Brasnett, RA Moreira, F Grünewald, ...
BioRxiv, 2024.04. 15.589479, 2024
202024
An overview of several inhibitors for Alzheimer’s disease: characterization and failure
S Boopathi, AB Poma, R Garduño-Juárez
International journal of molecular sciences 22 (19), 10798, 2021
202021
Nanomechanical stability of Aβ tetramers and fibril-like structures: molecular dynamics simulations
AB Poma, TTM Thu, LTM Tri, HL Nguyen, MS Li
The Journal of Physical Chemistry B 125 (28), 7628-7637, 2021
162021
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