Chemistry

The Fritz Haber Center for Molecular Research The Fritz Haber Center for Molecular Research- The primary objectives of the center are to support research in molecular dynamics and encourage cooperation between German and Isra… The MD Group The MD Group- The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates. Rapaport, Dennis C Rapaport, Dennis C- Includes table of contents for his book, java applets for related courses, and articles on the development of this subject Molecular Dynamics Molecular Dynamics- Focuses on parallel molecular dynamics: algorithms, benchmark timings, codes and simulation results. Includes several article references. Molecular Dynamics Molecular Dynamics- Includes an extensive tutorial, with sample programs in Fortran 90, and links to software packages. Journal of Chemical Information and Modeling (JCIM) Journal of Chemical Information and Modeling (JCIM)- Covers topics such as database search systems, use of graph theory in chemical problems, substructure search systems, pattern … Journal of Chemical Theory and Computation (JCTC) Journal of Chemical Theory and Computation (JCTC)- Publishes papers reporting new theories, methodology, and/or important applications in quantum chemistry, molecular dynamics, an… Journal of Computational Chemistry Journal of Computational Chemistry- Publishes original articles on ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamic… Journal of Computer-Aided Molecular Design Journal of Computer-Aided Molecular Design- Publishes articles on the theory and the application of computer-based methods in the analysis and design of molecules. This includes t… Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)- Publishes papers in all fields of theoretical chemistry, computational chemistry, and … Computational Chemistry Journals Computational Chemistry Journals- A list of journals known to publish articles about computational chemistry, even when the main focus of the journal is not computational chemistr… Journal of Theoretical and Computational Chemistry (JTCC) Journal of Theoretical and Computational Chemistry (JTCC)- Covers the development of fundamental theoretical methodology and computational algorithms to extensive numerical applic… Molecular Simulation Molecular Simulation- Covers all aspects of research related to, or of importance to, molecular modelling and simulation (including informatics, theoretical and experimental work). Tetrahedron Computer Methodology Tetrahedron Computer Methodology- Journal that ran from 1988 to 1990 and was a pioneer in electronic publishing in chemistry. It published articles about the application of comput… Journal of Computer Aided Chemistry Journal of Computer Aided Chemistry- Published by the Division of Chemical Information and Computer Science, The Chemical Society of Japan. Journal of Molecular Graphics and Modelling Journal of Molecular Graphics and Modelling- Publishes original research on the development and application of molecular modelling in the study of molecular structure, function, i… Journal of Computer Chemistry, Japan (JCCJ) Journal of Computer Chemistry, Japan (JCCJ)- Published by the Society of Computer Chemistry, Japan. Computational Biology and Chemistry Computational Biology and Chemistry- Publishes original papers and reviews in all areas of computational life sciences, such as nucleic acid and protein sequence research, molecul… Journal of Molecular Structure: THEOCHEM Journal of Molecular Structure: THEOCHEM- Publishes research related to the theory and modelling of molecular systems, including electronic structure, ab initio and semiempirical;… Journal of Molecular Modeling Journal of Molecular Modeling- Publishes articles on life science modeling (including QSAR, data mining/bioinformatics, structure and substructure search), materials modeling, new… NWChem NWChem- Software for electronic structure calculation and molecular dynamics simulations. Includes documentation, information on how to obtain the software, and tutorials. Simplified Introduction to Ab Initio Basis Sets. Terms and Notation Simplified Introduction to Ab Initio Basis Sets. Terms and Notation- An article by Jan K. Labanowski. Schrödinger, LLC. Schrödinger, LLC.- Producer of molecular mechanics packages for drug and biomolecular interactions . EPSRC National Service for Computational Chemistry Software EPSRC National Service for Computational Chemistry Software- Provides software, specialist consultation, computing resources, and software training to support UK academics. Direct… Seascape Learning Seascape Learning- Offers molecular modeling and bioinformatics services. Includes information on their products and services, as well as downloads of presentations and trial soft… AIChE Computational Molecular Science and Engineering Forum AIChE Computational Molecular Science and Engineering Forum- A unit of the American Institute of Chemical Engineers. Includes a listing of academic researchers and information on … The Cheminformatics and QSAR Society The Cheminformatics and QSAR Society- Organization for people involved in cheminformatics, or investigating quantitative structure-activity relationships in medicinal, agricultura… Kathlieke University: Laboratory of Pharmaceutical Chemistry Kathlieke University: Laboratory of Pharmaceutical Chemistry- Development and validation for analysis of drugs, using chromatography (LC, GC), capillary electrophoresis and mass s… ETH: Pharmaceutical Chemistry ETH: Pharmaceutical Chemistry- Employing molecular simulation from spectroscopic, X-ray crystallographic, isothermal and microcalorimetry data to study the role of sugar moieties … Pharmaceutical Chemistry Journal Pharmaceutical Chemistry Journal- Monthly publication devoted to research on the creation, improvement of manufacturing technology of drugs and their intermediates. Includes conte… Journal of Medicinal Chemistry Journal of Medicinal Chemistry- Publishes original research on the correlation of molecular structure with pharmacological activity. Includes contents with structures and models, … European Journal of Medicinal Chemistry European Journal of Medicinal Chemistry- Monthly publication for original papers, laboratory notes, short communications and invited reviews on organic synthesis, pharmacological … USP: Pharmaceutical Chemistry USP: Pharmaceutical Chemistry- Details of BS undergraduate program at University of the Sciences in Philadelphia. UCSF: Pharmaceutical Chemistry UCSF: Pharmaceutical Chemistry- Overview of department, research facilities, graduate program, courses, seminars, staff profiles and contacts at the University of California, San … Uppsala University: Division of Analytical Pharmaceutical Chemistry Uppsala University: Division of Analytical Pharmaceutical Chemistry- Research, education, publications, related links and profiles of staff at the biomedical center in Sweden.[bil… University of Vienna: Pharmaceutical Chemistry University of Vienna: Pharmaceutical Chemistry- Faculty divided into three academic departments for clinical pharmacy and diagnostics, medicinal chemistry, and of drug synthesis. University of Utah: Department of Pharmaceutics and Pharmaceutical Chemistry University of Utah: Department of Pharmaceutics and Pharmaceutical Chemistry- Offers summer undergraduate research and graduate program using facilities of the Center for Controll… University of Kuopio: Department of Pharmaceutical Chemistry University of Kuopio: Department of Pharmaceutical Chemistry- Offering a masters program in medicinal chemistry, with research paths to PhD in development of drug and bioorganic m… University of Karachi: Department of Pharmaceutical Chemistry University of Karachi: Department of Pharmaceutical Chemistry- Details of teaching and research within the Faculty of Pharmacy, Pakistan. University of Kansas: Department of Pharmaceutical Chemistry University of Kansas: Department of Pharmaceutical Chemistry- Research programs and links to history, academic mission, training programs and facilities at Lawrence. UIC: Department of Medicinal Chemistry and Pharmacognosy UIC: Department of Medicinal Chemistry and Pharmacognosy- Research, graduate programs, positions available, and profiles of staff at the College of Pharmacy, University of Illinoi… Rutgers, State University of New Jersey: Department of Medicinal Chemistry Rutgers, State University of New Jersey: Department of Medicinal Chemistry- Undergraduate courses, graduate program, facilities, news and staff contacts at the College of Pharmacy… Institute of Organic and Pharmaceutical Chemistry Institute of Organic and Pharmaceutical Chemistry- History, research groups, personnel and positions available at the National Hellenic Research Foundation, Athens, Greece. Innsbruck Medical University: Faculty of Chemistry and Pharmacy Innsbruck Medical University: Faculty of Chemistry and Pharmacy- History, teaching and research programs, with profiles of members at the Institute of Pharmacy, Austria. Ankara University: Department of Pharmaceutical Chemistry Ankara University: Department of Pharmaceutical Chemistry- Related links and contacts in Turkey. Percy Julian - The Black Inventor Online Museum Percy Julian - The Black Inventor Online Museum- Provides a biography with details of his numerous chemistry contributions. Invention of Cortisone - Percy Julian Invention of Cortisone - Percy Julian- Offers a biography and details regarding his synthesis of artificial cortisone. Percy Lavon Julian Percy Lavon Julian- National Academy of Science profile of this NAS member and his work. Percy Lavon Julian Percy Lavon Julian- Article with biographical information and his contributions to chemistry. MMsINC Database MMsINC Database- A free web-oriented database of commercially-available compounds for virtual screening and chemoinformatic applications.