Paulo Cesar Telles de Souza

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Siewert J. MarrinkProfessor of Molecular Dynamics, University of GroningenEmail verificata su rug.nl
Munir S. SkafInstitute of Chemistry, University of Campinas - UNICAMPEmail verificata su iqm.unicamp.br
Riccardo AlessandriKU LeuvenEmail verificata su kuleuven.be
Igor PolikarpovProfessor TitularEmail verificata su ifsc.usp.br
Bart M. H. BruininksUniversity of GroningenEmail verificata su rug.nl
Sebastian ThallmairFrankfurt Institute for Advanced StudiesEmail verificata su fias.uni-frankfurt.de
Fabian GrünewaldHeidelberg Institute for Theoretical StudiesEmail verificata su h-its.org
D. Peter TielemanCanada Research Chair in Molecular Simulation, University of CalgaryEmail verificata su ucalgary.ca
Manuel N. MeloITQB NOVAEmail verificata su itqb.unl.pt
Helgi I. IngólfssonLawrence Livermore National LaboratoryEmail verificata su llnl.gov
Leandro MartínezInstitute of Chemistry - State University of CampinasEmail verificata su iqm.unicamp.br
Luís Borges-AraújoResearcher (ENS de Lyon, CNRS)Email verificata su ens-lyon.fr
Jonathan BarnoudCentro Singular de Investigación en Tecnoloxías Intelixentes (CiTIUS) Universidade de Santiago deEmail verificata su usc.es
Mark S.P. SansomUniversity of OxfordEmail verificata su bioch.ox.ac.uk
Rodrigo L SilveiraInstitute of Chemistry - Federal University of Rio de JaneiroEmail verificata su iq.ufrj.br
Valentina CorradiResearch Associate, University of CalgaryEmail verificata su ucalgary.ca
Sangwook WuPukyong National UniversityEmail verificata su pukyong.ac.kr
Syma KhalidUniversity of OxfordEmail verificata su bioch.ox.ac.uk
Melina MottinResearch Associate, University of BrasiliaEmail verificata su unb.br
Vittorio LimongelliUSI Lugano (Switzerland)Email verificata su usi.ch

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Paulo Cesar Telles de Souza

Senior Researcher at LBMC and group leader at CBPsmn (ENS de Lyon, CNRS)

Email verificata su ens-lyon.fr

Computational Chemistry Molecular Modelling Molecular Biophysics Coarse Graining


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
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	918	2021
Computational modeling of realistic cell membranes SJ Marrink, V Corradi, PCT Souza, HI Ingolfsson, DP Tieleman, ... Chemical Reviews 119 (9), 6184-6226, 2019	657	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	300	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	227	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	213	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	196	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	187	2020
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	166	2023
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	145	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	116	2013
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	115	2022
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	106	2021
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	92	2021
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	83	2022
A molecular view on the escape of lipoplexed DNA from the endosome BMH Bruininks, PCT Souza, H Ingolfsson, SJ Marrink Elife 9, e52012, 2020	78	2020
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	77	2020
Martinize2 and vermouth: Unified framework for topology generation PC Kroon, F Grünewald, J Barnoud, M van Tilburg, PCT Souza, ... Elife, 2023	74*	2023
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	69	2018
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	67	2020
Coacervate formation studied by explicit solvent coarse-grain molecular dynamics with the Martini model M Tsanai, PWJM Frederix, CFE Schroer, PCT Souza, SJ Marrink Chemical Science 12 (24), 8521-8530, 2021	62	2021

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