Editorial Board ::: Current Computer-Aided Drug Design

ISSN: 1875-6697 (Online)
ISSN: 1573-4099 (Print)


Volume 13, 4 Issues, 2017


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Current Computer-Aided Drug Design

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Editor-in-Chief:
Subhash C. Basak
University of Minnesota Duluth
Duluth, MN
USA


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Editorial Board

Editor-in-Chief:

Subhash C. Basak (Biography
Subhash C. Basak

Dr. Subhash C. Basak, a Senior Scientist and Adjunct Professor at the University of Minnesota Duluth, has more than 40 years of experience in mathematical /computational chemistry and computer aided drug design. His research areas include: Development of novel topological Indices; hierarchical quantitative structure-activity relationship (HiQSAR); quantitative molecular similarity analysis (QMSA); tailored QMSA; descriptors of DNA/ RNA sequences; mathematical proteomics; chirality indices of chemicals; differential QSAR; mathematical nanotoxicoproteomics. He holds a PhD in Biochemistry from the University of Calcutta. Dr. Basak has published 268 research articles and has co-edited two books: 1) Advances in Mathematical Chemistry and Applications (Elsevier & Bentham) and 2) Statistical and Machine Learning Approaches for Network Analysis (Wiley). He is a member of the International Academy of Mathematical Chemistry.

)

University of Minnesota Duluth
Duluth, MN
USA



Co-Editor:

Lemont B. Kier (Biography
Lemont B. Kier

Dr. Kier is an Emeritus Professor of Medicinal Chemistry in the School of Pharmacy, Virginia Commonwealth University. He has pioneered in the area of drug design using quantitative structure activity relationships, QSAR, encoded in structure indices with electronic and topological molecular information. He has published over 300 research articles and 9 books, largely devoted to the introduction and application of this information in drug design.

)

Virginia Common Wealth University
Richmond, VA
USA


Associate Editors:

Rama K. Mishra
Northwestern University
Evanston, IL
USA

Shahul H. Nilar (Biography
Shahul H. Nilar

Dr. Nilar received his Ph.D. and the Diploma in Chemical Physics from the Quantum Theory Project, University of Florida, USA. His area of speciality is Intermolecular Interactions. Dr. Nilar has many years of experience in the molecular design of novel drug candidates against various infectious, neglected and tropical diseases such as HIV, Hepatitis-C, Hepatitis-B and Dengue Fever. He has over 80 international publications and presentations in peer reviewed scientific journals and conferences, international patents and software copyrights.

)

Global Blood Therapeutics
South San Francisco, CA
USA


Regional Editors:

A. Basak
Birkbeck College
London
UK

Marjan G. Vracko (Biography
Marjan G. Vracko

Dr. Marjan Vračko is senior researcher at National Institute of Chemistry, Slovenia. His research is focused to QSAR modelling of biological properties of compounds, to chemometrics (numerical analysis of proteomic and genomic data) and to development of molecular descriptors and representations. He obtained PhD (theoretical chemistry) in 1990 from University of Erlangen, FRG and later worked at Columbia University of New York and University of Namur, BE. In 2005 he was researcher at Joint Research Centre of European Commission (applications of (Q)SAR methods for regulatory purposes). He is author of 75 scientific papers.

)

National Institute of Chemistry
Ljubljana
Slovenia

Apurba K. Bhattacharjee (Biography
Apurba K. Bhattacharjee

Dr. Apurba K Bhattacharjee is currently an Adjunct Associate Professor at the Department of Microbiology and Immunology at the School of Medicine, Georgetown University Medical Center, Georgetown University, Washington, D.C, U.S.A. Earlier, he was a Senior Computational Chemistry Scientist at the Walter Reed Army Institute of Research, Maryland, U.S.A. He has over twenty five years of research experience in Computer Aided Drug Design, particularly in the application of quantum chemistry and pharmacophore modeling in discovery of novel bioactive agents. His current research interest is in discovery of antivirals targeting specifically the dengue and Zika viruses. He has authored and coauthored 125 peer reviewed international publications including four book chapters and five patents.

)

Georgetown University
Washington
DC
USA

A. Nandy
Centre for Interdisciplinary Research and Education
Kolkata
India


Editorial Board Members:

E. Aki (Biography
E. Aki

Prof. Esin AKI-YALÇIN is a full professor at the Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Ankara University since 1993. She has been some of the administrative jobs in Ankara University such as; Chair of Pharmaceutical Chemistry Department (1999-2002), Chair of Pharmaceutical Sciences Division (2003-2006), Acting Dean of Faculty of Pharmacy (2008-2009), Advisor to the Rector (2009-2014).She is the owner of the Medal "Badge of Honor" and Honorable Diploma of International Scientific Partnership Foundation, 2007.

)

Ankara University
Ankara
Turkey

A.D. Andricopulo
Universidade de Sao Paulo
Sao Paulo
Brazil

S. Balaz
North Dakota State University
Fargo, ND
USA

G. Bulusu (Biography
G. Bulusu

Dr Gopalakrishnan is Principal Scientist and Head of Computational Structural Biology at TCS Innovation Labs, Hyderabad since 2003. He has nearly 30 years of experience in Structural Biology, Molecular Modeling and Drug Design. Previously, Dr. Bulusu served as an Assistant Professor of Medicinal Chemistry at the National Institute of Pharmaceutical Education and Research (NIPER), Mohali, India and as Head of Molecular Modelling and Drug Design at Dr. Reddy's Laboratories, Hyderabad. He has a Ph.D (1989) in Molecular Biophysics, from the Indian Institute of Science, Bangalore and worked as a Research Associate in the area of structural biology at the Universite Rene Descartes, Paris and the University of Cambridge, UK. Dr. Bulusu has published over 40 journal papers. Dr. Bulusu is also an adjunct professor at Dr. Reddy's Institute of Life Sciences, Hyderabad and at International Institute of Information Technology, Hyderabad, where he teaches Biomolecular Structure, Interaction and Dynamics and supervises graduate research.

)

Tata Consultancy Services
Hyderabad
India

J.R. Chretien
University of Orleans
Orleans
France

R.B. De Alencastro (Biography
R.B. De Alencastro

Ricardo Bicca de Alencastro. Born 1943 Rio de Janeiro, Brazil. PhD in Physical Chemistry, Canada,1973, Currently, Emeritus Professor of Physical Organic Chemistry and Molecular Modeling at the Universidade Federal do Rio de Janeiro. Reviewer of 12 Scientific Journals, Member of the Editorial Advisory Board of Medicinal Chemistry, Current Computer-Aided Drug Design, International Scholarly Research Notices. Associate Editor of Revista Virtual de Química. Co-author of 123 scientific papers, 5 books, 8 book chapters, 10 translations of textbooks into Portuguese. 258 Posters and Oral Presentations in National and International Meetings. Supervisor of 17 Msc, 16 PhD and 51 undergraduate researchs.

)

Instituto de Quimica da UFRJ
Rio de Janeiro
Brazil

D.J. Diller (Biography
D.J. Diller

Dr. Diller is currently the Vice President of Computational Biology at CMDBioscience. Dr Diller has 20 years of experience in pharmaceutical and biotech organizations. Dr. Diller's research focus is the application of rigorous mathematical and physics-based methodology to problems encountered in drug discovery. His achievements range from the development of novel computational methods to the design of several development and clinical candidates. Dr. Diller has a Ph.D. in mathematics from Northwestern University. He began applying mathematical modeling to problems encountered in structure-based drug design in the group of Wim Hol at the University of Washington.

)

Wyeth Research
Princeton, NJ
USA

R. Garg
California State University
San Diego, CA
USA

H. González-Díaz (Biography
H. González-Díaz

González-Díaz H. holds an IKERBASQUE Professor position at Department of Organic Chemistry II, University of Basque Country UPV/EHU. This is a research chair endowed by Ikerbasque, Basque Foundation for Science of the Basque Government. Prof. González-Díaz H. obtained a PhD in Organic Chemistry, USC, Spain, 2005 and have been Professor of Cheminformatics and Bioinformatics topics at B.Sc., M.Sc., and Ph.D. course levels in different universities. More than ten years of experience as researcher, editor, and chairperson of scientific conferences. Hirsch Index H = 45 with >200 publications, >170 JCR research papers, >10 PhD thesis supervised, 2 patents, and >10 software co-authored. Research interests focus on the application of Network Sciences and Data Analysis tools to the Study of Sructure-Property Relationships in Molecular Structures, Biological Networks and Complex Systems in Cheminformatics, Bioinformatics, Systems Biology, Neurosciences, Nanosciences, etc.

)

University of Basque Country
Leioa, Bizkaia
Spain

S. Hannongbua
Kasetsart University
Bangkok
Thailand

R. Karaman (Biography
R. Karaman

Professor Rafik Karaman is currently a distinguished professor of pharmaceutical sciences, College of Pharmacy, Al-Quds University, Jerusalem, Palestine and adjunct professor at Basilicata University, Italy. He received his Ph.D. from the Hebrew University. He served as an Assistant Professor at the University of Toledo and University of California at Santa Barbara. Professor Karaman is broadly interested in the design of prodrugs to be used for the delivery of certain drugs having poor bioavailability as well as synthesis of prodrugs for masking the bitterness of drugs. Professor Karaman has more than 170 peer-reviewed manuscripts and book chapters.

)

West University of Timisoara
Basilicata University
Potenza
Italy

Y. Li (Biography
Y. Li

Prof. Youyong Li obtained his BS and MS from Peking University in 1997 and 2000. Then he obtained his PhD of Chemistry from California Institute of Technology in 2005. He was the director of functional materials and biotech at Caltech before he joined Soochow University in 2009 as a full professor. In general, his research interests are primarily focused on combining multiple scale simulation methods to study nanomaterials, polymer materials and molecules. He has published over 180 papers in top journals (J. Am. Chem. Soc, Adv. Mater. etc.). He served as the computational chemistry committee of Chinese Chemical Society and member of editorial board of "Frontiers in Materials" and "Current Computational Aided Drug Design".

)

Soochow University
Jiangsu
China

Y. Mizushina
Kobe-Gakuin University
Hyogo
Japan

M. Novic (Biography
M. Novic

Marjana Novič obtained Ph. D. in 1985 at the University of Ljubljana, Slovenia. She started her career at the National Institute of Chemistry Ljubljana. She finished post-doc at the University of Lausanne, Switzerland (1986-87) with automated pattern recognition in 2-D NMR spectra. In 1989 she has obtained “Boris Kidrič” national award for scientific achievements. Currently she is a head of the Laboratory of Cheminformatics at the National Institute of Chemistry Ljubljana. Her expertise includes development of chemometrics methods, QSAR, ANN modelling, in silico protein structure elucidation, and innovative combination of chemometrics with molecular modeling, which facilitates an effective drug design.

)

National Institute of Chemistry
Ljubljana
Slovenia

M. V. Putz (Biography
M. V. Putz

Mihai V. Putz is a laureate in physics, with an MS degree in spectroscopy, and PhD degree in chemistry, being involved in complementary postdoctoral research projects: in chemistry and in physics at the University of Calabria, Italy, and the Free University of Berlin, Germany, respectively. MVP made valuable contributions in computational, quantum, and physical chemistry published in various international journals. MVP is currently associate professor of theoretical and computational physical chemistry at West University of Timisoara, Romania, Principal Investigator (PI-1) at National Institute for Electrochemistry and Condensed Matter (INCEMC) Timisoara, and full member of International Academy of Mathematical Chemistry.

)

West University of Timisoara
Timisoara
Romania

P.A. Reche
Laboratorio de ImmunoMedicina
Madrid
Spain

I. Shamovsky
AstraZeneca R&D Lund
Lund
Sweden

R. Todeschini
University of Milano-Bicocca
Milano
Italy

Zaheer Ul-Haq (Biography
Zaheer Ul-Haq

Dr. Zaheer Ul-Haq is directing the Computational Chemistry group at the Dr. Panjwani Center for Molecular Medicine and Drug research, University of Karachi. He obtained his PhD under the supervision of Prof. Atta-ur-Rahman and completed his post-doctoral studies with Prof. Bernd M. Rode in Innsbruck, Austria. He is a recipient of Fulbright and Humboldt Fellowship from USA and Germany, respectively. He has published over 100 research articles in top international journals and he is the editor of a series of book entitled “Frontiers in Computational Chemistry. His area of interest includes in silico screening and Molecular Dynamics simulation of bio-molecules.

)

University of Karachi
Karachi
Pakistan

V.N. Viswanadhan
Jubilant Biosys Ltd.
Bangalore
India

G. Wolber
Freie University
Berlin
Germany

H.-Y. Zhang
Huazhong Agricultural University
Wuhan
China

A.M. Almerico (Biography
A.M. Almerico

Anna Maria Almerico graduated in chemistry with full marks and honours in 1977 (University of Palermo). During her academic career, she was visiting Professor at the School of Chemical Sciences, UEA (UK, 1983–1984), at the College of Pharmacy – OSU (USA, 1986–1987), at Masaryk University – Brno (Czech Republic, 1993). Currently she is Full Professor of Medicinal Chemistry at the University of Palermo. Her scientific interests are mainly devoted to the design, synthesis and evaluation of biological properties of new heterocyclic compounds related to well-known anticancer/antiviral/antiparasitic drugs. She is coauthor of more than 130 papers and 160 communications to Congresses.

)

Università degli Studi di Palermo
Palermo
Italy

A.T. Balaban
Texas A&M University at Galveston
Galveston, TX
USA

R. Benigni
Istituto Superiore di Sanita'
Rome
Italy

E.A. Castro
La Plata National University
Buenos Aires
Argentina

D.A. Cirovic
Sanofi Aventis
Bridgewater, NJ
USA

A.K. Debnath (Biography
A.K. Debnath

Dr. Asim K Debnath received his Ph.D. degree in Medicinal Chemistry in 1987 from Jadavpur University, Kolkata, India and completed his postdoctoral study with Prof. Corwin Hansch at the Chemistry Department, Pomona College, California, USA. He is a Member (equivalent to Professor) and Head of the laboratory of Molecule Modeling & Drug Design at the Lindsley F. Kimball Research Institute of the New York Blood Center. He is pursuing his research on antiviral drug design for the last 20 years. Dr. Debnath has published more than 97 peer-reviewed research papers and he has 14 US issued patents.

)

New York Blood Center
New York, NY
USA

I. Doytchinova
Medical University of Sofia
Sofia
Bulgaria

A. Ghose
Cephalon
West Chester, PA
USA

M. Gromiha (Biography
M. Gromiha

M Michael Gromiha is heading the Protein Bioinformatics Group at Indian Institute of Technology (IIT) Madras, India. His grouip is focusing on protein structure, stability and interactions. He has published over 175 research articles, 40 reviews, 6 editorials and a book on Protein Bioinformatics: From Sequence to Function by Elsevier/Academic Press. His papers received more than 8500 citations and h-index is 49. He is an Associate Editor of BMC Bioinformatics as well as Editorial Board Member of Scientific Reports, Biology Direct, Journal of Bioinformatics and Computational Biology and Current Computer Aided Drug design.

)

Indian Institute of Technology (IIT) Madras
Chennai
India

D. Horvath (Biography
D. Horvath

"Dragos Horvath, Ph.D. is a CNRS research director at the Laboratoire de Chemoinformatique, UMR 7140, University of Strasbourg. He is both a developer of chemoinformatics and modeling methodology (machine learning, chemical information management, 3D modeling using massively parallel distributed computational strategies, etc) and a user of chemoinformatics in drug design, at the interface with medicinal chemistry (virtual screening, property prediction). Prior to academic tenureship, Dr. Horvath was active in pharmaceutical industry (global head of modeling at Cerep, 1997-2003, Paris-Seattle), in charge of developing innovative proprietary chemoinformatics tools and models and to herewith support drug discovery. He got his Ph.D. in Organic Chemistry in 1996 (joint European partnership between USTL, the University of Lille and the Free University of Brussels), after graduating as a Chemical Engineer (University of Cluj, Romania)."

)

Universite de Strasbourg
Strasbourg
France

K. Krishnan
Université de Montréal
Montréa, QC
Canada

B. Liao
Hunan University
Chang Sha
China

S. Muresan
AstraZeneca R&D Mİlndal
Mİlndal,
Sweden

V.A. Palyulin
M. V. Lomonosov Moscow State University
Moscow
Russia

T. C. Ramalho (Biography
T. C. Ramalho

Teodorico C. Ramalho obtained his BSc in Chemistry from the University of Brasília in 1999 and his Master Degree in Chemistry from the Military Institute of Engineering (IME) Rio de Janeiro, Brazil, 2001. He received his PhD in chemistry from IME and was a doctoral fellow at the Max Planck Institute für Kohlenforshung in 2004. After a post-doctoral training at the Federal University of Rio de Janeiro and University of California, he joined the Federal University of Lavras (UFLA) as a professor of Chemistry. His research interests are in the areas of medicinal chemistry, theoretical chemistry, catalysis and solid-state chemistry of molecules of biological interest.

)

Federal University of Lavras
Lavras, MG
Brazil

K. Roy (Biography
K. Roy

Dr. Kunal Roy is a Professor in the Department of Pharmaceutical Technology, Jadavpur University, Kolkata, India. He has been a recipient of Commonwealth Academic Staff Fellowship (University of Manchester, 2007) and Marie Curie International Fellowship (University of Manchester, 2013). The field of his research interest is QSAR and Molecular Modeling with application in Drug Design and Predictive Toxicology. Dr. Roy has published more than 250 research articles in peer reviewed journals and coauthored/edited several QSAR related books ( https://sites.google.com/site/kunalroyindia/home/krlistofpublications ). His current h-index is 33. Dr. Roy has been recently recognized as one of the Top Ten Authors in the list of Active Indian Researchers (2009-14) in the subjects of Chemistry, and Pharmacology, Toxicology & Pharmaceutics in the Bibliometric Analysis published by DST, Govt of India (available from http://www.dst.gov.in/sites/default/files/Elsevier.pdf )

)

Jadavpur University
Kolkata
India

K. Shanmugasundaram
Harvard University
Boston, MA
USA

F. Torrens (Biography
F. Torrens

Dr. Torrens obtained a doctorate (Ph.D.) in Physical Chemistry from the Universitat de València, Spain. Currently Dr. Torrens is Lecturer in Physical Chemistry in the Universitat de València. His scientific accomplishments include the first implementation in a computer at the Universitat de València of a program for the elucidation of crystallographic structures and the construction of the first computational-chemistry program adapted to a vector-facility supercomputer in a Spanish university. He has published 2 books, 370 articles and 1672 presentations. He has been Advisor of 4 Ph.D. and 1 M.Sc.

)

Universitat de Valencia
Valencia
Spain

H.O. Villar (Biography
H.O. Villar

Dr Villar co-founded Altoris Inc. a firm that develops IT products for the Life Sciences industry. He specializes in the application of computers to the life sciences and the development of discovery technologies for the pharmaceutical industry. He worked at biotechnology companies in different positions of leadership, as well as IBM, SRI International and the Molecular Research Institute. He has published over 80 articles and holds over 18 patents. Dr Villar has a Ph.D. in Chemistry from the Universidad Nacional de La Plata (Argentina) and a Master’s in Business Administration, from the University of Colorado.

)

Altoris Inc
La Jolla, CA
USA

J. Wang (Biography
J. Wang

Dr. Junmei Wang is an associate professor at the Green Center for Computational and Systems Biology, University of Texas Southwestern Medical Center. Dr. Wang’s research interests include computer-aided drug design, molecular modeling and simulations of biomolecular systems as well as pharmcometrics. Dr. Wang has authored more than 100 research papers and book chapters. His publications have been extensively cited more than 11 thousand times (ISI Web of Knowledge). Dr. Wang is a key member of the AMBER development team. He has made significant contributions in AMBER development, including being the leader and major developer of two AMBER force fields (Parm99 and GAFF) and the Antechamber module of the AMBER package.

)

University of Pittsburgh
Pittsburgh, PA
USA

G.-F. Yang (Biography
G.-F. Yang

Guang-Fu Yang joined in Central China Normal University (CCNU) after getting the PhD from Nankai University in 1997. He served as the dean of the College of Chemistry of CCNU from 2002 to 2014. Since February 2014, he has been the Assistant President of CCNU. He has been working on the area of rational design and syntheses of biologically active small molecules (drug and pesticide) for over 20 years. He was awarded the National foundation for distinguish young scientist from NSF of China in 2009. He has published around 200 peer-reviewed papers, 25 patents and 8 book chapters.

)

Central China Normal University
Wuhan
P.R. China

T.A. Andreevich
The Mario Negri Institute for Pharmacological Research
Milano
Italy

K. Balasubramanian
Lawrence Livermore National Lab & California State University East Bay
Hayward, CA
USA

R. Brüggemann
Leibniz-Institute of Freshwater Ecology and Inland Waters
Berlin
Germany

C.N. Cavasotto
University of Texas at Houston
Houston
USA

L. David (Biography
L. David

Dr. David is currently a principal scientist at H. Lundbeck A/S, Copenhagen DK in the Computational Chemistry department. In 1996, he got his PhD degree from the University Joseph Fourier under the supervision of Dr. Martin Field at the Institut de Biologie Structurale in Grenoble, France. From 1996 to 1999 he was a postdoctoral fellow in Professor Michael Gilson’s lab at the Center for Advanced Research in Biotechnology. He then moved to the University of Montreal for a postdoctoral fellowship at Professor Francois Major’s lab. In 2001 he joined as a Senior Research Scientist the AstraZeneca Company, Lund, Sweden in the Computational Chemistry and in 2008 he joined H. Lundbeck. Dr David has co-authored more than 20 manuscripts and 6 patents.

)

Lundbeck A/S
Copenhagen
Denmark

M. Dehmer
The Health and Life Sciences University
Tyrol
Austria

J. Galvez (Biography
J. Galvez

Dr. Jorge Galvez is full professor in Physical Chemistry and director of the Molecular Topology and Drug Design Research Unit at the University of Valencia (Spain). He authored over 200 articles, 100 communications and 6 patents of new drugs designed or selected by molecular topology. He is member of the Spanish Royal Society of Chemistry, the Academy of Medicine of Valencia, the International Academy of Mathematical Chemistry (founder member), the European Academy of Mathematical Chemistry (founder member) and the Spanish Society of Green Chemistry. He has leaded the discovery of some 200 new hit-lead compounds in cancer, Alzheimer, malaria, etc.

)

University of Valencia
Valencia
Spain

A.C. Gibbs
Johnson & Johnson Pharmaceutical Research & Development
Cranbury, NJ
USA

R. Guha (Biography
R. Guha

Rajarshi Guha is an informatics research scientist in the Division of Pre-Clinical Innovation at NCATS. He is involved in small molecule development projects in a variety of therapeutic areas including rare cancers and infectious diseases. He is also involved in software and algorithm development in the areas of cheminformatics methods and large scale infrastructure projects. His research interests focus on methodology development to analyze and visualize chemical biology data sets, with specific focus on techniques to link chemical structure information to molecular, bibliographic, genomic and clinical covariates.

)

National Center for Advancing Translational Science
Rockville, MD
USA

T.-J. Hou (Biography
T.-J. Hou

Dr. Hou obtained a doctorate (Ph.D.) in Computational Chemistry from Peking University in 2002 and is currently the professor for College of Pharmaceutical Sciences at Zhejiang University in Hangzhou. His research focuses on development of new methods for computer-aided drug design (CADD) and design of potential lead compounds for important drug targets. He has published more than 260 peer reviewed papers in international prestigious SCI-cited journals, 4 book chapters and 1 multimedia courseware.

)

Soochow University
Jiangsu
China

M. Lajiness (Biography
M. Lajiness

Mic Lajiness is a Research Advisor in the Computer Aided Drug Discovery group at Eli Lilly. His interests are in developing and applying novel methodologies to understand and exploit the relationship between molecular structure and biological activity as well as developing broad-based informatics systems to facilitate Drug Discovery. He has worked in the pharmaceutical industry for over 40 years. At Eli Lilly, Mic led the development and application of Mobius that is widely loved and used by over 1,500 scientists and hasauthored more than 30 scientific papers and chapters.

)

Eli Lilly & Company
Indianapolis, IN
USA

M.A. Miteva (Biography
M.A. Miteva

Dr. Miteva is a Research Director at Inserm, the French health research institute. She has nearly 20 years of research experience in bioinformatics, chemoinformatics, drug design and ADMETox predictions in France, Sweden and Bulgaria. Currently, Dr. Miteva is a leader of the team " Virtual screening, PPI & ADMETox predictions" belonging to the Inserm unit "Therapeutic Molecules in silico", Inserm U973 - University Paris Diderot. During her career at Bulgarian Academy of Science, Dr. Miteva holds a Ph.D. in biophysical chemistry and bioinformatics from the Institute of Organic Chemistry, Sofia, Bulgaria. Notably, Dr. Beyer has authored more than 80 manuscripts, 1 patent, and edited the book "In silico lead discovery", Bentham Sci. Publishers.

)

University Paris Diderot
Paris
France

J.S. Murray
CleveTheoComp LLC
Cleveland, OH
USA

Y.S. Prabhakar (Biography
Y.S. Prabhakar

Dr. Prabhakar is a Chief Scientist & Professor, AcSIR in CSIR-Central Drug Research Institute, Lucknow, India. He has 35 years research experience in computer-aided drug design and discovery processes. His research is focused on molecular modeling of agents against infectious and vector borne diseases. Dr. Prabhakar has authored more than 80 manuscripts, two book chapters, one patent, and co-edited a thematic issue of Current Computer-Aided Drug Design on Chemo- and Bioinformatics of Drug Discovery of Vector Borne Diseases. He is on the panel of PhD advisers of Jawaharlal Nehru University, New Delhi and guest faculty of the National Institute of Pharmaceutical Education and Research, Raebareli, India where he teaches Medicinal Chemistry to M.S. (Pharmaceutical Chemistry) students.

)

Central Drug Research Institute
Lucknow
India

M. Randic
National Institute of Chemistry
Ljubljana
Slovenia

E. Schonbrunn
Moffitt Cancer Center
Tampa, FL
USA

H. Sun (Biography
H. Sun

Dr. Hongmao Sun is currently a scientist at the National Center for Advancing Translational Sciences (NCATS) in Maryland. He received two PhD degrees, from the University of Science and Technology of China (USTC) for systematic studies on the atomic structures of high –Tc superconductors, and from Clark University for research on medicinal and computational chemistry. After postdoctoral training at Washington University in St. Louis, He worked for Hoffmann-La Roche in Nutley, NJ, for over 10 years. He has published over 30 research papers in the field of drug discovery. Last year, his monographic book “A Practical Guide to Rational Drug Design” was published by Elsevier.

)

NIH Chemical Genomics Center
Rockville, MD
USA

N. Trinajstic (Biography
N. Trinajstic

Dr. Trinajstic is the Member of Croatian Academy of Sciences and Arts. He is the author or co-author of 16 monographs mainly on mathematical and computational chemistry and history of Croatian chemistry. Additionally, he has written of a number of research papers, reviews and reports as well.

)

Croatian Academy of Sciences
Zagreb
Croatia

B.O. Villoutreix
Inserm U648, University of Paris
Paris
France

D.F. Weaver
Dalhousie University
Halifax
Canada

I. Yildiz
Ankara University
Ankara
Turkey


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