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Displaying 30 speakers out of 30
ASATRYAN, Arevik (Yerevan State University, Armenia)
Stability of Biopolymers in Aqueous Solution. GMPC Approach
BAKASA, Namarome C. (University of Eldoret, Kenya)
Adenine-thymine base-pair step four-body non-additivity contribution to B-DNA: a quantum monte carlo study
BALATTI, Galo E. (University of Buenos Aires, Argentina)
Interaction of antimicrobial peptides with POPC lipid structures modeled by molecular dynamics simulations
BEST, Robert (NIH, Bethesda, U.S.A.)
Atomistic simulations of intrinsically disordered proteins
BOTTARO, Sandro (University of Copenhagen, Denmark (talk presented on behalf of Kresten Lindorff-Larsen))
Molecular dynamics and RNA: A perfect match?
CABALLERO, Julio (Universidad de Talca, Chile)
The Catalytic Mechanism of Pfk-2: first computational approximation
COSSIO TEJADA, Pilar (MPI, Frankfurt, Germany)
Linking structural ensembles from simulations to the analysis of individual cryo-EM images
ELEL SAYED EL HABASHY, Hadeer (The American University, Cario, Egypt)
On the development of a Novel Bio-Molecular NanoSwitch: A Theoretical Investigation
HASSANALI, Ali (ICTP, Trieste, Italy)
OPENING/WELCOME REMARKS
HUMMER, Gerhard (MPI, Frankfurt, Germany)
Molecular simulations of membrane dynamics, remodeling and sensing
Shoot first, ask questions later: from molecular simulations to protein function
KIRURI, Lucy (Kenyatta University, Nairobi, Kenya)
An overview of environmentally persistent free radicals (EPFRs)
LEONE ALVREZ, Vanessa (NINDS, Bethesda, U.S.A.)
Structure and mechanism of the ATP synthase membrane motor inferred from quantitative integrative modeling
OMOLLOH, George Ochieng (Kenyatta University, Nairobi, Kenya)
Moving domain QM/MM methods for interactions of human estrogen receptor alpha with endocrine disruptive chemicals
PALMA, Juliana (Universidad Nacional de Quilmes, Buenos Aires, Argentina)
Separating the wheat from the chaff: tips on how to identify and characterize essential movements in frantically shaking proteins
PANTANO GUTIERREZ, Sergio Fabian (Institut Pasteur de Montevideo, Uruguay)
Affordable multiscale methods for simulating virus like particles
PASTOR COLON, Carmen Nina (UAEM, Cuernavaca, Mexico)
From unfolding intermediates to amyloid protofibrils: the beginning of light chain amyloidosis
PEREPELYTSYA, Sergiy (Bogolyubov Institute for Theoretical Physics, Kiev, Ukraine)
Dynamics of ordered counterions in the ion-hydrate shell of DNA double helix
POBLETE, Simon (SISSA, Trieste, Italy)
Introducing atomistic details into a base-centered representation of RNA
POHL, Peter (Johannes Kepler University of Linz, Austria)
Protons at the membrane water interface
PRAKASH, Meher (JNCASR, Bangalore, India)
Designing drugs bacteria can not resist
SANTIAGO TERRONES, Jose Angel (UAEM, Mexico)
Structural characterization of the TATA binding protein molecular surface from eukaryotic parasites, identification of druggable binding pockets
SHARMA, Parul (AIIMS, New Delhi, India)
Conformational profile assessment of Human cathelicidin (ll-37) and it's function as neutrophil apoptosis via the activation of FPRL1, explained using molecular dynamics simulations
STERPONE, Fabio (UPR/CNRS, Paris, France)
Protein in cell. Toward microscopic simulations of cell-like environments
SULIMAN, FakhEldin (Sultan Qaboos University, Muscat, Oman)
Applications of molecular modeling methods to host-guest supramolecular chemistry
TAVAGNACCO, Letizia (Universita' di Sapienza, Rome, Italy)
Caffeine self-association in Aqueous solution: from the supramolecular to atomic scale clustering
TIWARI, Nidhi (Centre of Biomedical Research, Lucknow, India)
Role of water in bone microstructure
Role of water in bone microstructure
VERLI, Hugo (UFRGS, Porto Alegre, Brazil)
Insights into N-glycosylation machinery
WISMAN ACHARIGE, Monika Madhavi (University of Colombo, Sri Lanka)
Molecular simulations of the dynamics of water in model cartilage
Molecular simulations of the dynamics of water in model cartilage
WRAGG, Darren D. (Cardiff University, U.K.)
Molecular dynamic studies of H2O2 permeation via Aquaporin-3
Molecular dynamic studies of H202 permeation via Aquaporin-3
YUSUFF, Olaniyi Kamil (University of Iorin, Nigeria)
Role of the subunit interactions in the conformational transitions in adult human hemoglobin: an explicit solvent molecular dynamics study

Organizers

Alessandro Laio, Carmen Nina Pastor Colon, Lucy Kiruri
ICTP Local Organizer: Ali Hassanali

Co-sponsors