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Molecular Modeling Connect

Editorial Board

Affiliation:
Department of Chemistry, UM Centre of Excellence for Quantum Information Science and Technology (UMQIST), Faculty of Science,
University of Malaya
Kuala Lumpur, Malaysia,

Biography:

Assoc. Prof. Dr. Vannajan Sanghiran Lee is a renowned researcher specializing in molecular modeling and simulations, dedicated to advancing sustainable development goals (SDGs). With a BSc in Chemistry from Chiang Mai University, Thailand (1994), and a PhD in Pharmaceutical Sciences and Physical Chemistry from the University of Missouri-Kansas City, USA (2001) supported by a prestigious scholarship from the Institute of Promotion and Development Science and Technology Project in Thailand, she has established herself as a prominent figure in her field

Dr. Lee's exceptional contributions were recently recognized with the 2023 UNESCO Woman of Influence for Science and Technology award at the 1st International Congress for the Women of Influence (ICFWI) in Tehran, Iran. Her expertise lies in molecular modeling and simulations, including Molecular Dynamics (MD), Monte Carlo Simulations (MC), and Quantum Mechanics (QM). She applies these techniques to biomolecular and material design, driving significant contributions to sustainable development

Currently serving as a respected lecturer at the Department of Chemistry, University of Malaya, and holding the position of Deputy Head of the UM Centre of Excellence for Quantum Information Science and Technology (UMQIST), Dr. Lee's dedication and expertise in molecular modeling and simulations contribute to global SDG efforts. She also empowers the next generation of scientists through MolDesign, a student company she established as a flexible partnership platform for molecular creators and innovators.

Dr. Lee's commitment to advancing scientific knowledge, nurturing innovation, and empowering molecular creators exemplifies her dedication to driving transformative change in various industries.

Interests:

Molecular Dynamics (MD), Monte Carlo Simulations (MC), and Quantum Mechanics (QM)  
Yoshiyuki Kawazoe

Honorary Editor

Affiliation:
Tohoku University
Sendai
Japan

Interests:
Theoretical physics, Computational materials science, Origin of magnetism, Correct treatment of excited electronic states, Pentagonal shape pseutdo-2D materials
Ranjit Vijayan

Regional Editor

Affiliation:
Department of Biology, College of Science
United Arab Emirates University
Al Ain
UAE

Region:
Middle East 

Interests:
Molecular dynamics simulations of biological macromolecules, Protein structure modeling, Structure based drug discovery, Cryptides and bioactive peptides, Genomics, transcriptomics, & pharmacogenomics, Genetics of inherited disorders, High-performance computing
Robert Vianello

Regional Editor

Affiliation:
Division of Organic Chemistry and Biochemistry
Ruđer Bošković Institute
Zagreb
Croatia

Region:
Southeast Europe

Interests:
Catalysis, Drug Design, Material Design, Enzymes, Supramolecular Complexes, Proton Dynamics, Neurological Diseases

Rupesh V. Chikhale

Regional Editor

Affiliation:
UCL School of Pharmacy
London
United Kingdom

Region:
Northwestern Europe

Interests:
Molecular modeling, G-Quadruplex, G-Structure, DNAs
Shirley W. I. Siu

Regional Editor

Affiliation:
Faculty of Applied Sciences
Macao Polytechnic University
Macao
China

Region:
Asia 

Interests:
Computational drug discovery, cheminformatics, machine learning, biomolecular simulation, and molecular mechanics force fields. 
Affiliation:
Department of Biochemistry, Faculty of Science
Chulalongkorn University
Bangkok
Thailand

Region:
Southeast Asia

Interests:
Molecular modeling on biological systems, Rotational drug design, and Drug delivery systems. 

Anand Gaurav

Section Editor

Affiliation:
School of Health Sciences and Technology
UPES
Dehradun
India

Section Title:
Ligand and structure based design of bioactive compounds

Interests:
Molecular Modeling, Drug Design, In Silico Drug Discovery, Phosphodiesterases, Molecular Docking, QSAR, Pharmacophore, Virtual Screening, Molecular Dynamics Simulations
Arry Yanuar

Section Editor

Affiliation:
Faculty of Pharmacy, Department of Pharmacy
Universitas Indonesia
Depok
Indonesia



Interests:
Computer Simulation, Peperomia, Molecular Dynamics Simulation, Medicinal Plants
Affiliation:
School of Pharmacy
Bandung Institute of Technology
Bandung
Indonesia


Interests:
Medicinal chemistry, CADD, molecular dynamics, porphyrins, virtual screening, anticancer.
Dima A. Sabbah

Section Editor

Affiliation:
College of Pharmacy
Al-Zaytoonah University of Jordan
Amman
Jordan

Section Title:
Computational Chemistry and Drug Design Approaches

Interests:
Computational Chemistry, Drug Design, Medicinal Chemistry, Organic Synthesis, Drug Discovery. 
Fatemeh Mollaamin

Section Editor

Affiliation:
Department of Biomedical Engineering
Faculty of Engineering and Architecture
Kastamonu University
Kastamonu
Turkey

Section Title:
Theoretical and Computational Chemistry in Materials Modelling


Interests:
Quantum Chemistry, Computational Chemistry, Materials Modelling, Molecular Simulation, Thermodynamics.

Mohammad Kalteh

Section Editor

Affiliation:
Department of Mechanical Engineering
Faculty of Engineering
Golestan University
Gorgan
Iran

Section Title:
Nanoscale Heat Transfer and Fluid Flow

Interests:
Molecular Dynamics simulation, Nanofluids, Molecular Liquids, Nanoscale Energy Conversion and Storage, Renewable Energy





Affiliation:
Department of Chemistry, Faculty of Science 
Chiang Mai University
Chaing Mai
Thailand



Interests:
Polymer/ Material Modeling, Biocomputing and Drug Design, Model compound and characterization
 
Prerna Sinha

Section Editor

Affiliation:
Indian Institute of Technology Kanpur
Kanpur
India

Section Title:
Materials for Energy

Interests:
Materials Science, Materials Science Application in energy systems, Nanotechnology, Energy Storage, Electrochemistry

Ranjit Thapa

Section Editor

Affiliation:
Department of Physics
SRM University-AP
Mangalagiri
India

Section Title:
Materials for Energy and Environment

Interests:
Heterogenious Catalysts, Electrocatalysts, Electrodes for Batteries, Supercapacitors, Electronic Structure Theory, DFT

Suwipa Saen-Oon

Section Editor

Affiliation:
Nostrum Biodiscovery
Barcelona
Spain



Interests:
QM and QM/MM studies of electron transfer process and enzyme catalysis mechanism, molecular simulations in biophysics process to in silico drug discovery application
Qian Wang

Section Editor

Affiliation:
School of Materials Science and Engineering
Peking University
Beijing
China 


Interests:
Carbon-based materials for energy and environment applications; Pentagon-based thermoelectric, piezoelectric, magnetic, and nonlinear optical materials

Adnan Younis

Editorial Board Member

Affiliation:
Department of Physics, College of Science
United Arab Emirates University
Al Ain
United Arab Emirates 

Interests:
Functional Materials, Energy Storage and Conversion, Electronic Properties of Materials, Nanostructures, Transport Properties, Structural, morphological and optical properties of Materials, Renewable energy.




Abbasali Raz

Editorial Board Member

Affiliation:
Malaria and Vector Research Group (MVRG)
Biotechnology Research Center (BRC)
Pasteur Institute of Iran
Tehran
Iran


Interests:
Genetic engineering, Molecular biology, siRNA, Paratransgenesis, Insect molecular biology, and Vaccine development. 





Amgad M. Rabie

Editorial Board Member

Affiliation:
Faculty of Pharmacy
Mansoura University
Mansoura
Egypt



Interests:
Pharmaceutical Organic/Medicinal Chemistry, Drug Design/Discovery, Pharmaceutical/Medical Sciences, Clinical Medical Research


Faheem Hyder Pottoo

Editorial Board Member

Affiliation:
Department of Pharmaceutical Chemistry
Imam Abdulrahman Bin Faisal University
Dammam
Saudi Arabia


Interests:
Nanoparticle; Blood Brain Barrier; Drug Delivery System


Fuad Ameen

Editorial Board Member

Affiliation:
Department of Botany & Microbiology
College of Science
King Saud University
Riyadh
Saudi Arabia


Interests:
Bioremediation, Nanobiotechnology, Environmental microbiology



Guan Jun Yang

Editorial Board Member

Affiliation:
School of Marine Sciences
Ningbo University
Ningbo
China

Interests:
Anti-cancer drug screening, Pharmacological mechanism research, Aquatic biological immunity, and disease prevention and control



Guojun Yu

Editorial Board Member

Affiliation:
Department of Thermal Energy and Power Engineering
Shanghai Maritime University
Shanghai
China



Interests:
Fluid flow and Heat Transfer, Numerical Modelling for Heat and Mass Transfer, Energy Storage, Petroleum Storage and Transportation


Ianatul Khoiroh

Editorial Board Member

Affiliation:
Chemical and Environmental Engineering
University of Nottingham
Selangor
Malaysia



Interests:
Applied Thermodynamics, Separation Process, Molecular Dynamics Simulation, Passive Cooling Technology, CO2 Capture and Sequestration


Jer-Lai Kuo

Editorial Board Member

Affiliation:
Institute of Atomic and Molecular Sciences, Academia Sinica
Taipei
Taiwan


Interests:
Structure and Properties of H-bonded Clusters, First-Principle Studies of Bulk Materials, Application of Artificial Intelligence in Material Discovery/Design, Order/Disorder Transitions in Ice.
José G. Parra

Editorial Board Member

Affiliation:
Universidad de Carabobo
Valencia
Venezuela



Interests:
physical chemistry, molecular dynamics, simulation of complex systems





Keat Hoe Yeoh

Editorial Board Member

Affiliation:
Jeffrey Sachs Center on Sustainable Development
Sunway University
Selangor
Malaysia 

Interests:
Atomistic modelling of surface properties for energy storage and conversion, Monte Carlo modelling of charge transport in semiconductors



Mengyao Li

Editorial Board Member

Affiliation:
School of Medicine
Shanghai Jiao Tong University
Shanghai
China



Interests:
anti-tumor activity, mechanisms of traditional Chinese medicine; drug design and synthesis, patient-derived organoid models, patient-derived tumor xenografts.





Nagu Prakash Prabhu

Editorial Board Member

Affiliation:
University of Hyderabad
Hyderabad
India

Interests:
Protein folding, aggregation, amyloid fibril, modeling and dynamic simulation


Richard A. Bryce

Editorial Board Member

Affiliation:
Division of Pharmacy and Optometry
Faculty of Biology, Medicine and Health
University of Manchester
Manchester
United Kingdom



Interests:
Simulation of biomolecular dynamics and thermodynamics, computer-aided drug design, molecular modelling





Sharifuddin Mohd D. Zain

Editorial Board Member

Affiliation:
Department of Chemistry
Faculty of Science
Universiti Malaya
Kuala Lumpur
Malaysia 

Interests:
Chemical Sciences, Computational Chemistry, Cheminformatics, Chemometrics

Supareak Praserthdam

Editorial Board Member

Affiliation:
Faculty of Engineering
Chulalongkorn University
Bangkok
Thailandl



Interests:
Computational Catalysis, Density Functional Theory, Heterogeneous Catalysis, Microkinetic Modelling


Vaishali M. Patil

Editorial Board Member

Affiliation:
Ch. Charan Singh University
Meerut
India


Interests:
QSAR, Medicinal chemistry, Therotetical and Computational Chemistry



Vladislav V. Krisyuk

Editorial Board Member

Affiliation:
Nikolaev Institute of Inorganic Chemistry
Siberian Branch of Russian Academy of Sciences
Novosibirsk
Russia

Interests:
Coordination chemistry; volatile heterometallic complexes; CVD; Surface chemistry


Xolile G. Fuku

Editorial Board Member

Affiliation:
Institute for Nanotechnology and Water Sustainability (iNanoWS)
College of Science, Engineering, and Technology, 
University of South Africa
Pretoria
South Africa


Interests:
Water-Energy nexus, Green chemistry, Electrochemical technologies for energy conversion and storage, Electrochemical sensors, Catalysis, Nanotechnology