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EDITORIAL BOARD

VANNAJAN SANGHIRAN LEE

Editor-in-Chief

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. 

THANYADA RUNGROTMONGKOL

Regional Editor

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

DARYONO HADI TJAHJONO

Section Editor

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











PIYARAT NIMMANPIPUG

Section Editor

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




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