Editorial Board
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.
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.
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.
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.
Krishnan Balasubramanian is Professor Emeritus at Arizona State University, Tempe. His areas of research are theoretical, computational & mathematical chemistry, mathematical & computational biology, predictive toxicology and drug research, He is a two-time Fulbright Scholar, Camille and Henry Dreyfus Teacher-Scholar, Alfred P. Sloan Fellow, received Distinction in Graduate Teaching and the Joint Prize of Minister of Education,Poland. He has more than 600 Journal publications and two books. He was a Robert S. Mulliken Lecturer, winner of the Lawrence Livermore Distinguished Service Award and elected member of International Academy of Mathematical Chemistry. He has 15950 citations, H-index:61; I5-index:516, and I10:433.
Chun-Wei Tung is an associate professor in School of Pharmacy and Ph.D. Program in Toxicology, Kaohsiung Medical University, Taiwan. He is also an adjunct assistant research fellow in National Environmental Health Research Center, NHRI, Taiwan. His research interests include bioinformatics, immunoinformatics and toxicoinformatics. He has served as a member of IAPR TC-20 (Technical Committee on Pattern Recognition in Bioinformatics).
Alberto Perez got his PhD in Computational and Theoretical Chemistry from the University of Barcelona. He worked in understanding nucleic acids functionality through atomistic models and molecular dynamics simulations. He then joined Ken Dill’s lab first at UCSF and later moved to Stony Brook University where he became a Junior Fellow of the Laufer Center. He has been working in methods for ab initio prediction of protein structures using physics based models. His two main contributions have been the development of better force fields for nucleic acids (parmbsc0 and parmbsc1) and the MELD software for protein structure prediction.
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.
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.
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.
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.
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.
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 )
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.
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.
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.
Rainer Brüggemann has studied chemistry in the Ludwig-Maximilians University Munich (LMU) and made his PhD at LMU. In different professional positions he was working about deterministic mathematical modelling of transport processes of chemicals in the environment and in the field of theoretical ecology.
Since 2008 he is retired, working now mainly about partial order and its applications. He developed a software package about applied partial order, which is now used in several parts of the world. He published more than 400 peer reviewed journal papers, books or book chapters.
Dr. Claudio N. Cavasotto, received his M.Sc. and Ph.D. in physics from the University of Buenos Aires, Argentina. In 2012, he moved to the Biomedicine Research Institute of Buenos Aires-Partner Institute of the Max Planck Society, where he is head of the Computational Chemistry and Drug Design group. His research interests primarily include biomolecular simulation, computer-aided drug discovery and cheminformatics. His group develops and applies computational methods to study molecular interactions in biological systems and to design molecules that modulate targets of pharmaceutical relevance. Dr. Cavasotto has authored/co-authored more than 55 article publications, having a considerable number of total citations, i.e. over 2,290.
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.
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.
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.
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.
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.
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).
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.
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".
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.
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.
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.
Milan Randić is native of Croatia born in 1930. He studied Theoretical Physics at the University of Zagreb during 1949-1953. Professor Ivan Supek, Ph. D. student of Werner Heisenberg, directed his graduate studies towards theoretical chemistry. He got Ph. D degree to the University of Cambridge, England. In 1973 he he oriented his research to application of Discrete Mathematics and Graph Theory to Chemistry. From 1980 to 2000 Randić was professor Department of Mathematics and Computer Science at Drake University, Des Moines, Iowa, after which he retired but continue to work on graphical Bioinformatics.
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.
Roberto Todeschini is full professor of chemometrics at the Department of Earth and Environmental Sciences of the University of Milano-Bicocca (Milano, Italy), where he constituted the Milano Chemometrics and QSAR Research Group. Main research activities concern chemometrics, QSAR, molecular descriptors, and software development. Member and past-president of the International Academy of Mathematical Chemistry, he is author of more than 230 publications and of the books “The Data Analysis Handbook”, by I.E. Frank and R. Todeschini; Elsevier, 1994, “Handbook of Molecular Descriptors”, by R. Todeschini and V. Consonni; Wiley-VCH, 2000, “Molecular Descriptors for Chemoinformatics” by R. Todeschini and V. Consonni, 2009.
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.
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.
Hong-Yu Zhang is currently a professor and Dean of College of Informatics in Huazhong Agricultural University. He completed his Ph.D. in biophysics at the Institute of Biophysics, Chinese Academy of Sciences in 1997. His research interest focuses on the origin and evolution of life and systems biology-based drug discovery. Dr. Zhang has published 160+ articles in the fields of evolutionary biology and drug discovery. He received Servier Young Investigator Prize from Chinese Pharmacological Society in 1999, Young Investigator Prize in Chemistry from Chinese Chemical Society in 2005 and Prize for Natural Science Research in 2011 from Ministry of Education, China.
Dr. Jia-Feng Yu is a professor in Institute of Biophysics, Dezhou university, China. He received his PHD degree in Bioinformatics from Southeast University in 2012, and he is currently deputy director of Shandong Key Laboratory of Biophysics. His research field involves genome annotation, intrinsically disordered proteins, flora, lncRNA, small open reading frames, some works have been published in NAR, DNA Res, CMLS, BMC Bioinformatics, etc.
