The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design.

As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered. 

authoritative review articles or commentaries

Editors
Dr. E.X. Esposito
exeResearch, East Lansing, Michigan, United States Email Dr. E.X. Esposito
Dr. J. Platts
Cardiff University, Cardiff, United Kingdom Email Dr. J. Platts
Honorary Editor
J.D. Madura †
International Editorial Board
Assoc. Professor S.S. Azam
Quaid-i Azam University National Center for Bioinformatics Computational Biology Laboratory, Islamabad, Pakistan
Dr. J. Briggs
University of Houston, Houston, Texas, United States
Dr. R. Bryce
The University of Manchester, Manchester, United Kingdom
Dr. T. Cagin
Texas A&M University College Station, College Station, Texas, United States
Dr. T.E. Cheatham
The University of Utah, Salt Lake City, Utah, United States
Dr. E. Deliyanni
Aristotle University of Thessaloniki, Thessaloniki, Greece
Professor M. D. Esrafili
University of Maragheh, Maragheh, Iran, Islamic Republic of
Professor M. Feig
Michigan State University, East Lansing, Michigan, United States
Dr. D.R. Flower
Aston University Pharmacy, Birmingham, United Kingdom
Professor V. Gillet
The University of Sheffield, Sheffield, United Kingdom
Dr. J.M. Goodman
University of Cambridge, Cambridge, United Kingdom
Dr. M. Gür
Istanbul Technical University, İstanbul, Turkey
Assoc. Professor D. Hamelberg
Georgia State University, Atlanta, Georgia, United States
Professor J.D. Hirst
University of Nottingham, Nottingham, United Kingdom
Dr. A.J. Holder
University of Missouri Kansas City, Kansas City, Missouri, United States
Professor T. Hou
Zhejiang University, Hangzhou, China
Dr. T. Hou
Zhejiang University, Hangzhou, China
Professor H. Jiang
Shanghai Institute of Materia Medica Chinese Academy of Sciences, Shanghai, China
Professor C.K. Kim
Inha University, Incheon, Korea, Republic of
Dr. D.R. Koes
University of Pittsburgh, Pittsburgh, Pennsylvania, United States
Dr. P. Kolb
University of Marburg, Marburg, Germany
Dr. A. Leach
GlaxoSmithKline Research and Development, Stevenage, United Kingdom
Dr. R. Lewis
Novartis Pharma AG, Basel, Switzerland
Dr. S. Masters
University of Canterbury, Christchurch, New Zealand
Dr. J. Mitchell
University of St Andrews Biomedical Sciences Research Complex, Haugh, St. Andrews, United Kingdom
Professor M. Orozco
Institute for Research in Biomedicine, Barcelona, Spain
Professor E. Ozkirimli
Boğaziçi University, İstanbul, Turkey
Dr. E. Papaleo
University of Copenhagen, København, Denmark
Dr. A.L. Parrill
University of Memphis, Memphis, Tennessee, United States
Professor M. Pasquinelli
North Carolina State University, Raleigh, North Carolina, United States
Dr. R. Paton
University of Oxford, Oxford, United Kingdom
Assoc. Professor Z. Qasmi
University of Karachi, Karachi, Pakistan
Professor K. Roy
Jadavpur University, Kolkata, India
Dr. M. Sahai
University of Roehampton, London, United Kingdom
Dr. G.N. Sastry
Indian Institute of Chemical Technology, Hyderabad, India
Dr. J. Stone
University of Illinois at Urbana-Champaign, Champaign, Illinois, United States
Prof. Dr. M. Swart
University of Girona, Girona, Spain
Dr. T. Tselios
University of Patras Department of Chemistry, Patras, Greece
Dr. Y.J. Tseng
National Taiwan University, Taipei, Taiwan
Professor D. Wei
Shanghai Jiao Tong University - Fahua Campus, Shanghai, China
Dr. S. Wildman
University of Wisconsin Madison, Madison, Wisconsin, United States
Dr. T. Wymore
University of Michigan, Ann Arbor, Michigan, United States
Prof. Dr. X. Yao
Lanzhou University, Lanzhou, China
Dr. E. Yuriev
Monash Institute of Pharmaceutical Sciences, Parkville, Australia
Assoc. Professor P. Zhou
University of Electronic Science and Technology of China, Chengdu, China