Journals

MRI shielding MRI shielding- MRI and magnetic field shielding. Active and passive magnetic field shielding. Lindgren Enclosures Lindgren Enclosures- Lindgren is a supplier of shielding solutions for electromagnetic and radio frequency. (EMI/RFI) The DCIF Acronym Page The DCIF Acronym Page- A list of NMR acronyms from MIT. A quick guide to NMR acronyms A quick guide to NMR acronyms- A long list of NMR terms and their definitions. Also includes lists of experiments and what they tell you. NMR Acronyms, Abbreviations, and Terms NMR Acronyms, Abbreviations, and Terms- A long list of various NMR terms and their definition. Some Remarks on the Concept of Acids and Bases Some Remarks on the Concept of Acids and Bases- Selection from an article published in Recueil des Travaux Chimiques des Pays-Bas, 1923. Merz, Jr., Kenneth M. Merz, Jr., Kenneth M.- Theoretical studies of biomolecules including the development of the AMBER force field and methods for studying protein-ligand binding. Includes description… Case, David A. Case, David A.- Computer modeling of the structure and dynamics of proteins and nucleic acids. Includes descriptions of his group's research and software that his group has co-dev… University of California, Irvine: Filipp Furche Group University of California, Irvine: Filipp Furche Group- Specializes in time dependent density functional theory and electronic structure theory developing the Turbomole quantum che… Drug Design Laboratory, Milan University Drug Design Laboratory, Milan University- Molecular modeling resources, software and projects. Home of the programs Vega and BioDock. Department of Theoretical Chemistry: Vrije Universiteit Amsterdam Department of Theoretical Chemistry: Vrije Universiteit Amsterdam- Density functional quantum chemistry, molecular response properties, and computational studies of chemisorption … Mike Towler Mike Towler- Research in computational electronic structure theory, particularly the quantum Monte Carlo method (University of Cambridge, UK). Clark, Tim Clark, Tim- Development and application of molecular orbital methods, particularly semi-empirical methods and the VAMP program. (Erlangen University) Lester, Jr., William A. Lester, Jr., William A.- Quantum Monte Carlo studies of the electronic structure of atoms and small molecules (University of California at Berkeley). Breneman, Curt M. Breneman, Curt M.- Automated design and discovery of novel pharmaceuticals using semi-supervised learning in large molecular databases. Ab initio methods, data mining, and QSAR. (… Aspuru-Guzik, Alan Aspuru-Guzik, Alan- Studies the connections between quantum computation and chemistry, theoretical studies of renewable energy materials, and method development for density functi… Houk, Kendall N Houk, Kendall N- Quantum mechanical methods to study organic reactions, organic catalysts, host-guest systems and reactive intermediates (University of California, Los Angeles). NIH Center for Molecular Modeling NIH Center for Molecular Modeling- Supplier of molecular modeling resources and expertise to the NIH research community. Development and application of theoretical and computation… Elber, Ron Elber, Ron- Theoretical studies of biomolecular structure and dynamics (Hebrew University Jerusalem). Kosloff, Ronnie Kosloff, Ronnie- Quantum molecular dynamics with a particular focus on coherent control and photochemistry in condensed phases (Hebrew University, Jerusalem). Sherrill, C. David Sherrill, C. David- Ab initio and density functional quantum chemistry (Georgia Institute of Technology). Buch, Victoria Buch, Victoria- Quantum mechanics of highly anharmonic, weakly bound systems; theoretical studies of adsorbates on ice surfaces (Hebrew University, Jerusalem). Ben-Shaul, Avinoam Ben-Shaul, Avinoam- Theoretical studies of biomolecules (The Hebrew University of Jerusalem). Agmon, Noam Agmon, Noam- Molecular reaction dynamics in condensed phases; simulations of biomolecules (Hebrew University, Jerusalem). McCammon, J. Andrew McCammon, J. Andrew- Simulations of biochemical reactions in solution, in proteins, and at membrane interfaces through statistical and quantum mechanics (University of California … Gasteiger Group Gasteiger Group- Computer-representation of chemical structures and reactions. Simulation of chemical reactions and synthesis design. Calculation of fundamental physicochemical ef… van Gunsteren, Wilfred F. van Gunsteren, Wilfred F.- Molecular dynamics simulations of biomolecular systems. (ETH Hönggerberg) Jurs, Peters C. Jurs, Peters C.- Computer-assisted methods for investigating relationships linking molecular structures of organic compounds with their physicochemical properties or biological ac… Tidor, Bruce Tidor, Bruce- Structure and properties of proteins, nucleic acids, and their complexes. Investigations probe the sources of stability and specificity that drive folding and bindin… Jorgensen, William L. Jorgensen, William L.- Studies of organic reactions in solution and in enzymes using Monte Carlo and semiempirical QM/MM simulations. (Yale University)