Information & explanations, latest texts & monographs on
Computational_chemistry (including recent related patents.)
Computational chemistryComputational chemistry is the branch of theoretical chemistry whose major goals are to create efficient computer programs that calculate the properties of molecules (such as total energy, dipole moment, vibrational frequencies) and to apply these programs to concrete chemical objects. It is also sometimes used to cover the areas of overlap between computer science and chemistry. There are several major areas within this topic
This article is adapted from from Wikipedia All Wikipedia article text is available under the terms of the GNU Free Documentation License Essentials of Computational Chemistry : Theories and Models by Christopher J. Cramer Structural Bioinformatics by Philip E. Bourne Introduction to Computational Chemistry by Frank Jensen Computational Chemistry (Oxford Chemistry Primers, 29) by Guy H. Grant Computational Biochemistry and Biophysics by Oren M. Becker Computational Color Science : Using MATLAB by Stephen Westland A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations by Tim Clark The Emergence of Complexity in Mathematics, Physics, Chemistry, and Biology by Bernard Pullman Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics by Errol G. Lewars Computational Chemistry : A Practical Guide for Applying Techniques to Real World Problems by David Young Computational Medicinal Chemistry for Drug Discovery by Patrick Bultinck Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics by Errol G. Lewars Structural Bioinformatics by Philip E. Bourne Computational Methods in Physics, Chemistry and Biology : An Introduction by Paul Harrison Reviews in Computational Chemistry by Kenny B. Lipkowitz Recent Computational_chemistry related patents From USPTO: 6706522: Plasmid DNA from Yersinia pestis 6699599: Deuterated semi-conducting organic compounds used for opto-electronic devices 6696426: Preservative free ophthalmic oxazolidinone antibiotic drug delivery systems 6692905: Methine compound-containing silver halide photographic emulsion and photographic material using the same 6689879: Modified HIV Env polypeptides 6689558: Cells for drug discovery 6686067: Deuterated semi-conducting organic compounds used for opto-electronic devices 6680203: Fourier transform mass spectrometry of complex biological samples 6680178: Profiling of protease specificity using combinatorial fluorogenic substrate libraries 6678619: Method, system, and computer program product for encoding and building products of a virtual combinatorial library 6678618: Neural network methods to predict enzyme inhibitor or receptor ligand potency 6677060: Deuterated semi-conducting organic compounds used for opto-electronic devices 6675103: Visualizing high dimensional descriptors of molecular structures 6673589: .alpha.-amylase mutants 6240374: Further method of creating and rapidly searching a virtual library of potential molecules using validated molecular structural descriptors 6230102: Computer system and process for identifying a charge distribution which minimizes electrostatic contribution to binding at binding between a ligand and a molecule in a solvent and uses thereof 6208942: Molecular hologram QSAR 6204232: .alpha.-amlase mutants 6188965: Apparatus and method for automated protein design 6185548: Neural network methods to predict enzyme inhibitor or receptor ligand potency 6185506: Method for selecting an optimally diverse library of small molecules based on validated molecular structural descriptors 6180654: Heterocyclic nonnucleoside inhibitors of reverse transcriptase 6178384: Method and apparatus for selecting a molecule based on conformational free energy 6174905: Cell differentiation inducer 6156759: Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and method for use thereof 6150415: Epoxide hydrolase complexes and methods therewith 6150088: Core structure of gp41 from the HIV envelope glycoprotein 6136748: Catalyst composition for the polymerization of olefins 6125235: Method for generating a refined structural model of a molecule 6124307: Nonnucleoside inhibitors of reverse transcriptase, composite binding pocket and methods for use thereof 6103711: Inhibitors of interleukin-1.beta. converting enzyme 6100380: Immunomodulating peptides and methods of use 6091492: Apparatus and method for determining the size distribution of particles by light scattering 6081766: Machine-learning approach to modeling biological activity for molecular design and to modeling other characteristics 6070127: Method of superposing molecular conformations of compounds 6054286: Methods to identify immunomodulators using cognate interaction of PKC-theta 6029114: Molecular modelling of neurotrophin-receptor binding 6025194: Nucleic acid sequence of senescence asssociated gene 6025147: Inhibitors of interleukin-1 .beta. converting enzyme 6022724: .alpha.-amylase mutants 6011119: Resin composition for electrophotographic toner, and toner 5269943: Method for treatment of soils contaminated with organic pollutants 5260882: Process for the estimation of physical and chemical properties of a proposed polymeric or copolymeric substance or material 4735651: Novel phytotoxic and plant growth regulating oligopeptide |