Paulo Cesar Telles de Souza
Paulo Cesar Telles de Souza
Researcher at LBMC and CBPsmn (ENS de Lyon, CNRS)
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Martini 3: a general purpose force field for coarse-grained molecular dynamics
PCT Souza, R Alessandri, J Barnoud, S Thallmair, I Faustino, ...
Nature methods 18 (4), 382-388, 2021
Computational modeling of realistic cell membranes
SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson, DP Tieleman, ...
Chemical reviews 119 (9), 6184-6226, 2019
Enhancing molecular n‐type doping of donor–acceptor copolymers by tailoring side chains
J Liu, L Qiu, R Alessandri, X Qiu, G Portale, JJ Dong, W Talsma, G Ye, ...
Advanced Materials 30 (7), 1704630, 2018
Medium chain fatty acids are selective peroxisome proliferator activated receptor (PPAR) γ activators and pan-PPAR partial agonists
MV Liberato, AS Nascimento, SD Ayers, JZ Lin, A Cvoro, RL Silveira, ...
PloS one 7 (5), e36297, 2012
Pitfalls of the Martini Model
R Alessandri, PCT Souza, S Thallmair, MN Melo, AH de Vries, SJ Marrink
Journal of Chemical Theory and Computation 15 (10), 5448-5460, 2019
CHARMM‐GUI Martini Maker for modeling and simulation of complex bacterial membranes with lipopolysaccharides
PC Hsu, BMH Bruininks, D Jefferies, P Cesar Telles de Souza, J Lee, ...
Journal of computational chemistry 38 (27), 2354-2363, 2017
Protein–ligand binding with the coarse-grained Martini model
PCT Souza, S Thallmair, P Conflitti, C Ramírez-Palacios, R Alessandri, ...
Nature communications 11 (1), 3714, 2020
GQ-16, a novel peroxisome proliferator-activated receptor γ (PPARγ) ligand, promotes insulin sensitization without weight gain
AA Amato, S Rajagopalan, JZ Lin, BM Carvalho, ACM Figueira, J Lu, ...
Journal of Biological Chemistry 287 (33), 28169-28179, 2012
Molecular mechanism of peroxisome proliferator-activated receptor α activation by WY14643: a new mode of ligand recognition and receptor stabilization
A Bernardes, PCT Souza, JRC Muniz, CG Ricci, SD Ayers, NM Parekh, ...
Journal of molecular biology 425 (16), 2878-2893, 2013
Two decades of Martini: Better beads, broader scope
SJ Marrink, L Monticelli, MN Melo, R Alessandri, DP Tieleman, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (1), e1620, 2023
Bottom-up fabrication of a proteasome–nanopore that unravels and processes single proteins
S Zhang, G Huang, RCA Versloot, BMH Bruininks, PCT de Souza, ...
Nature chemistry 13 (12), 1192-1199, 2021
Martini 3 coarse‐grained force field: small molecules
R Alessandri, J Barnoud, AS Gertsen, I Patmanidis, AH de Vries, ...
Advanced Theory and Simulations 5 (1), 2100391, 2022
Structure of the human signal peptidase complex reveals the determinants for signal peptide cleavage
AM Liaci, B Steigenberger, PCT de Souza, S Tamara, M Gröllers-Mulderij, ...
Molecular cell 81 (19), 3934-3948. e11, 2021
High performance collision cross section calculation—HPCCS
L Zanotto, G Heerdt, PCT Souza, G Araujo, MS Skaf
Journal of computational chemistry 39 (21), 1675-1681, 2018
Titratable Martini model for constant pH simulations
F Grünewald, PCT Souza, H Abdizadeh, J Barnoud, AH de Vries, ...
The Journal of chemical physics 153 (2), 2020
Polyply; a python suite for facilitating simulations of macromolecules and nanomaterials
F Grünewald, R Alessandri, PC Kroon, L Monticelli, PCT Souza, ...
Nature communications 13 (1), 68, 2022
Analysis of agonist and antagonist effects on thyroid hormone receptor conformation by hydrogen/deuterium exchange
ACM Figueira, DM Saidemberg, PCT Souza, L Martínez, TS Scanlan, ...
Molecular Endocrinology 25 (1), 15-31, 2011
A molecular view on the escape of lipoplexed DNA from the endosome
BMH Bruininks, PCT Souza, H Ingolfsson, SJ Marrink
Elife 9, e52012, 2020
Martini coarse-grained models of imidazolium-based ionic liquids: from nanostructural organization to liquid-liquid extraction
LI Vazquez-Salazar, M Selle, AH De Vries, SJ Marrink, PCT Souza
Green Chemistry, 2020
A practical view of the martini force field
BMH Bruininks, PCT Souza, SJ Marrink
Biomolecular Simulations: Methods and Protocols, 105-127, 2019
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