Secondary Structure, Mechanical Stability, and Location of Transition State of Proteins

por Li, Mai Suan
Publicado em 2007

Effect of Surface Roughness on Aggregation of Polypeptide Chains: A Monte Carlo Study

por Co, Nguyen Truong, Li, Mai Suan
Publicado no Biomolecules (2021)

Refolding upon Force Quench and Pathways of Mechanical and Thermal Unfolding of Ubiquitin

por Li, Mai Suan, Kouza, Maksim, Hu, Chin-Kun
Publicado em 2007

How Good is Jarzynski’s Equality for Computer-Aided Drug Design?

por Ho, Kiet, Truong, Duc Toan, Li, Mai Suan
Publicado no J Phys Chem B (2020)

Effects of Water Models on Binding Affinity: Evidence from All-Atom Simulation of Binding of Tamiflu to A/H5N1 Neuraminidase

por Nguyen, Trang Truc, Viet, Man Hoang, Li, Mai Suan
Publicado em 2014

Fast Estimation of the Blood–Brain Barrier Permeability by Pulling a Ligand through a Lipid Membrane

por Thai, Nguyen Quoc, Theodorakis, Panagiotis E., Li, Mai Suan
Publicado no J Chem Inf Model (2020)

Multiple stepwise refolding of immunoglobulin domain I27 upon force quench depends on initial conditions

por Li, Mai Suan, Hu, Chin-Kun, Klimov, Dmitri K., Thirumalai, D.
Publicado em 2006

Probing the mechanisms of fibril formation using lattice models

por Li, Mai Suan, Klimov, D. K., Straub, J. E., Thirumalai, D.
Publicado em 2008

Effect of the English Familial Disease Mutation (H6R) on the Monomers and Dimers of Aβ40 and Aβ42

por Viet, Man Hoang, Nguyen, Phuong H., Derreumaux, Philippe, Li, Mai Suan
Publicado em 2014

Rayleigh-Plesset equation of the bubble stable cavitation in water: A nonequilibrium all-atom molecular dynamics simulation study

por Man, Viet Hoang, Li, Mai Suan, Derreumaux, Philippe, Nguyen, Phuong H.
Publicado no J Chem Phys (2018)

Mechanical and thermodynamic properties of Aβ(42), Aβ(40), and α-synuclein fibrils: a coarse-grained method to complement experimental studies

por Poma, Adolfo B, Guzman, Horacio V, Li, Mai Suan, Theodorakis, Panagiotis E
Publicado no Beilstein J Nanotechnol (2019)

Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations

por Nguyen, Hoang Linh, Thai, Nguyen Quoc, Truong, Duc Toan, Li, Mai Suan
Publicado no J Phys Chem B (2020)

Monomer adds to preformed structured oligomers of Aβ-peptides by a two-stage dock–lock mechanism

por Nguyen, Phuong H., Li, Mai Suan, Stock, Gerhard, Straub, John E., Thirumalai, D.
Publicado em 2007

Erythromycin leads to differential protein expression through differences in electrostatic and dispersion interactions with nascent proteins

por Nguyen, Hoang Linh, Pham, Dang Lan, O’Brien, Edward P., Li, Mai Suan
Publicado no Sci Rep (2018)

Nonequilibrium atomistic molecular dynamics simulation of tubular nanomotor propelled by bubble propulsion

por Man, Viet Hoang, Li, Mai Suan, Wang, Junmei, Derreumaux, Philippe, Nguyen, Phuong H.
Publicado no J Chem Phys (2019)

Interaction mechanism between the focused ultrasound and lipid membrane at the molecular level

por Man, Viet Hoang, Li, Mai Suan, Wang, Junmei, Derreumaux, Philippe, Nguyen, Phuong H.
Publicado no J Chem Phys (2019)

Effect of the Tottori Familial Disease Mutation (D7N) on the Monomers and Dimers of Aβ(40) and Aβ(42)

por Viet, Man Hoang, Nguyen, Phuong H., Ngo, Son Tung, Li, Mai Suan, Derreumaux, Philippe
Publicado em 2013

Emergence of Barrel Motif in Amyloid-β Trimer: A Computational Study

por Nguyen, Hoang Linh, Linh, Huynh Quang, Matteini, Paolo, La Penna, Giovanni, Li, Mai Suan
Publicado no J Phys Chem B (2020)

Oligomerization of Peptides LVEALYL and RGFFYT and Their Binding Affinity to Insulin

por Chiang, Hsin-Lin, Ngo, Son Tung, Chen, Chun-Jung, Hu, Chin-Kun, Li, Mai Suan
Publicado em 2013

Discovery of Dihydrochalcone as Potential Lead for Alzheimer’s Disease: In Silico and In Vitro Study

por Viet, Man Hoang, Chen, Chun-Yu, Hu, Chin-Kun, Chen, Yun-Ru, Li, Mai Suan
Publicado em 2013