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Publications
Proceedings
2021 Annual Meeting
Engineering Sciences and Fundamentals
Molecular Simulation and Modeling of Complex Molecules
2021 Annual Meeting
Session: Molecular Simulation and Modeling of Complex Molecules
Chair
Colón, Y.
Co-Chairs
Bai, P.
Shi, K.
, Northwestern University
Presentations
08:00 AM
(435a) Fingerprinting Histone Tail Modifications at Atomistic Resolution in the Human Nucleosome
Piston, K.
,
Nangia, S.
08:15 AM
(435b) Atomistic Simulations of RNA for Characterizing Folding Free Energy Surfaces
Zerze, G.
08:30 AM
(435c) The Dynamic Remodeling of Actin Filament Networks – a Multiscale Approach
Mani, S.
,
Voth, G. A.
08:45 AM
(435d) Distinct Effect of Water on Solvation and Structure of Lipase in Deep Eutectic Solvents Containing Protein Destabilizer and Stabilizers
Qiao, Q.
,
Shao, Q.
,
Shi, J.
09:00 AM
(435e) Fast Prediction of Peptide-Surface Interaction without Massive Enhanced Sampling
Qi, X.
,
Pfaendtner, J.
09:15 AM
(435f) Playing Bayesian Jigsaw with PDB Structures: Optimizing Rigid Body Representations for Integrative Modeling of Macromolecular Complexes
Sanyal, T.
,
Sali, A.
,
Chait, B. T.
09:30 AM
(435g) Coarse-Grained Molecular Dynamics Study of the Self-Assembly of Triblock Bolaamphiphiles with SAFT-? Mie CG Forcefield
Fayaz Torshizi, M.
,
Muller, E.
09:45 AM
(435h) Novel Model for Electrohydrodynamic Interactions of Polyelectrolytes.
Kopelevich, D.
,
Butler, J.
10:00 AM
(435i) Calculating the Entropy of an Entangled Linear Polyethylene Melt Under Shear and Elongational Flows Via Atomistic Simulation
Nafar Sefiddashti, M. H.
,
Khomami, B.
,
Edwards, B.
10:15 AM
(435j) The Development of a Martini Coarse-Grained Model for Rosette Nanotubes
Karra, V.
,
Hung, F.
,
Fenniri, H.