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Laboratory of Theoretical and Computational Biophysics (Lab TCB)

1. Introduction

Laboratory of Theoretical and Computational Biophysics (Lab TCB) is founded by Ton Duc Thang University in order to investigate the physical insights of biological system behaviors at the atomic and electronic level. The understanding widely apply to resolve numerous interdisciplinary problems involving molecular modeling, drug design, biofuel, material and environment, etc.

2. Mission and vision

The TCB targets to resolve urgency problems in biophysics such as:
- Investigating the conformations of disorder proteins using extensive molecular dynamics simulations.
- Estimating the Gibbs free energy difference of binding between biomolecules.
- Determining the physical insights of metalloproteins such as deoxyhypusine dydroxylase and polysaccharide monooxygenases.
- Discovering tremendous potential inhibitors for Aβ oligomers, neuraminidase, HIV protease, and acetylcholinesterase, etc.

3. Research topics

- Quantum chemical investigations of metalloproteins
- Folding/Misfolding of disorder proteins
- Free energy calculations
- Synthetic materials

4. Current members

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Dr. Son Tung Ngo

Positions:

• Head of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University
• Assistant professor at Ton Duc Thang University

Areas of expertise: Computational Biophysics, Free energy Calculations, Protein folding/misfolding, Computer-aided drug design, and Metalloproteins

Editorship:

• Review Editor:
- Frontiers in Chemistry (Impact factor: 4.2)
- Frontiers in Physics (Impact factor: coming 2019)

Research track record (until March of 2019):

• ISI papers: 27
• Total ISI Citations: 394
• ISI H-index: 11
• At most 5 top journals:
- Coordination Chemistry Reviews (Impact factor: 14.5)
- Journal of Chemical Information and Modeling (Impact factor: 4.2)
- Journal of Physical Chemistry B (Impact factor: 3.2)
- ACS Chemical Neuroscience (Impact factor: 4.2)
- Journal of Computational Chemistry (Impact factor: 3.2)

Nguyen_Trung_Hai.png

Dr. Nguyen Trung Hai

Positions:

• Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Molecular dynamics simulations, free energy calculations, Bayesian data analysis

Research track record (until March of 2019):

• ISI papers: 16
• Total ISI Citations: 137
• ISI H-index: 6
• At most 5 top journals:
- Proceedings of the National Academy of Sciences of the United States of America (Impact factor: 9.5)
- Journal of Chemical Theory and Computation (Impact factor: 5.4)
- Chemistry-A European Journal (Impact factor: 5.2)
- Dalton transactions (Impact factor 4.1) 
- Scientific Reports (Impact factor 4.1)

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Dr. Nguyen Van Luong

Positions:

• Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Optimal control theory, nonsmooth analysis, optimization, fixed point theory and applications

 

Dr. Duong Nguyen Hong Nhung

Positions:

• Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Catalysis, Chemical Engineering, and biofuel

 

Dr. Ngo Thi Hong Van

Positions:

• Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Drug design

DEMASTED_Tran_Phuoc_Duy.jpg

Dr. Tran Phuoc Duy

Position: Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Computational Biophysics and Bioinformatics

COMCHEM_Tran_Thi_Thuy_Linh.jpg

Dr. Tran Thi Thuy Linh

Position: Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Computer Aided Drug Design, Molecular Modeling

COMCHEM_Nguyen_Thi_Mai.JPG

Msc. Nguyen Thi Mai

Position: Member of Laboratory of Theoretical and Computational Biophysics, Ton Duc Thang University

Areas of expertise: Computational chemistry

5. Former members (name, title, picture)

6. Publications (ISI or Scopus only)

4. Son Tung Ngo, Philippe Derreumaux, Van V. Vu (2019); Probable Transmembrane Amyloid α-Helix Bundles Capable of Conducting Ca2+ Ions; (in press) (ISI).

3. Son Tung Ngo, Khanh B. Vu, Le Minh Bui, and Van V. Vu; Effective Estimation of Ligand Binding Affinity using Biased Sampling Method; (ISI).

2. Son Tung Ngo, Huong Phung Thi Thu, Khanh B. Vu, Van V. Vu (2018); Atomistic Investigation of an Iowa Amyloid-β Trimer in Aqueous Solution; (ISI). 

1. Bao Khanh Vu, Van V. Vu, Huong Phung Thi Thu, Ha N. Giang, Nguyen Minh Tam, Son Tung Ngo (2018); Conjugated polymers: A systematic investigation of their electronic and geometric properties using density functional theory and semi-empirical methods; Synthetic Metals (ISI).

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