11th Meeting on Molecular Simulations - Program

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Thursday November 14th, 2019.

15:00 – 17:00
Juan Manuel Germán Acacio
Herbert Höpfl
Frank José Salas Sánchez

17:00 – 19:00
Natalya V. Likhanova
Zaira J. Domínguez Esquivel
José Alejandre

Friday November 15th, 2019.

08:30 – 09:10  OPENING CEREMONY

CHAIRMAN: Humberto Saint-Martin Posada

09:10 – 10:10 Andrés Cisneros (webinar) – University of North Texas,USA.
Desarrollo y Aplicaciones de AMOEBA–I

10:10 – 11:10 Jeffrey Potoff (webinar) – Wayne State University, USA.
-To be announced-

11:10 – 11:30 COFFEE BREAK

11:30 – 12:30 Jose Nuno Canongia Lopes (webinar) – Universidad Técnica de Lisboa, Portugal.
Probing Structure and Interactions in Different Nano-segregated Systems.

12:30 – 13:00 Minerva González Melchor – Instituto de Física, BUAP, Mexico.
Dielectric behavior of water within a surfactant bilayer: a molecular dynamics study.

13:00 – 13:15 Attendees picture

13:15 – 15:00 LUNCH (Hotel NH)

CHAIRMAN: Héctor Domínguez Castro

15:00 – 15:30 Osvaldo de Melo Pereira – Facultad de Física, Universidad de La Habana, Cuba.
Interfacial strain defines the self-organization of epitaxial MoO 2 flakes and porous films on sapphire: experiments and modelling.

15:30 – 16:00 Angélica Estrella Ramos Peña – Instituto de Investigaciones en Materiales, UNAM, Mexico.
Weak interactions in DNA: a DFT study in CpG-island-like chains.

16:00 – 16:30 COFFEE BREAK

16:30 – 17:00 Javier Carmona Espíndola – CONACyT-UAM Iztapalapa, Mexico.
Constrained Dipole Moment Density Functional Theory for Charge Distributions in Force Fields for the Study of Molecular Fluids.

17:00 – 17:30 Marco Vinicio Velarde Salcedo – Facultad de Ciencias, UAEM, Mexico.
Low Hydroxylated Fullerenes: Stability, Thermal Behavior, and Vibrational Properties.

17:30 – 18:00 César Millán Pacheco – Facultad de Farmacia, UAEM, Mexico.
Pharma-Dock, another docking server based on free software.

18:00 – 20:00 POSTER SESSION

20:00 Award-winnings and dinner conference 
Meeting on Molecular Simulations Award

Announcement of winner posters
(Restaurant “Quereres Sabor Mexicano“)

Saturday November 16th, 2019.

CHAIRWOMAN: Ana Laura Benavides Obregón

09:00 – 09:30 Eduardo Villareal Ramírez – Facultad de Odontología, UNAM, Mexico.
An undiscovered code in the intrinsically disordered proteins: Phosphorylation as control of ligand binding and protein structure.

09:30 – 10:30 Iván Ortega Blake – Instituto de Ciencias Físicas, UNAM, Mexico.
Nanodomain formation in the lipidic bilayer, origin, modulation and biological

10:30 – 11:00 COFFEE BREAK

11:00 – 11:30 Manuel Martínez Jiménez – UAM Iztapalapa, Mexico.
Aqueous solutions of methanol, ethanol and 1-propanol: numerical simulations of the liquid phase and liquid-vapor coexistence using refined molecular models.

11:30 – 12:00 Francisco Alarcón Oseguera – Universidad de Guanajuato, Mexico.
Biofilms under hydrodynamic stress.

12:00 – 12:50 Chantal Valeriani – Universidad Complutense de Madrid, Spain.
The role played by interactions in the assembly of active colloids.

12:50 – 13:15 COFFEE BREAK

13:15 – 14:00
Winners of the Poster Session Prizes

DOWNLOAD The Program (PDF)

DOWNLOAD Abstracts- Conferences (PDF)

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