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Computational chemistry
Results: 1931

#	Item
571	Minutes of WG2 meeting at YorkPresent: Eleanor Dodson - York Phil Evans - MRC LMB Ronan Keegan - CCP4 RAL Eugene Krissinel - CCP4 RAL Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2010-07-22 12:13:20 Computational chemistry Crystallography Coot GTK+ CCP4 MRC Apache Subversion Ligand Software Chemistry Science
572	CCP4 NEWSLETTER ON PROTEIN CRYSTALLOGRAPHY An informal Newsletter associated with the BBSRC Collaborative Computational ProjectNo. 4 on Protein Crystallography. Number 44 Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2006-07-11 10:37:59 Software CCP4 Coot Molecular replacement Collaborative Computational Project Number 4 STING Structural alignment Council for the Central Laboratory of the Research Councils Daresbury Laboratory Crystallography Science Chemistry
573	© 2000 Oxford University Press Nucleic Acids Research, 2000, Vol. 28, No–3845 Comparative analysis of secondary structure of insect mitochondrial small subunit ribosomal RNA using Add to Reading List Source URL: taxonomy.zoology.gla.ac.uk Language: English - Date: 2007-07-24 12:40:04 RNA Computational phylogenetics Chemistry DNA Protein methods Sequence alignment Multiple sequence alignment Structural alignment Biomolecular structure Biology Genetics Bioinformatics
574	The Schrödinger Newsletter December 2014 In this Issue: FEP+: A Progress Report on Free Energy Calculations in Drug Discovery Ask the Scripts Expert: Locating Scripts, Predicting Kinetics, and Monitoring Ring Distances Add to Reading List Source URL: www.schrodinger.com Language: English - Date: 2015-02-17 16:20:20 Drug discovery Medicinal chemistry Computational chemistry Bioinformatics Pharmacology Schrödinger KNIME Drug design Docking Chemistry Science Biology
575	CP-DRIVER MANUAL 4-Dec-00 Pedro Salvador Dept. of Chemistry, Oakland University, Rochester, Michigan, US Add to Reading List Source URL: iqc.udg.es Language: English - Date: 2003-12-15 11:37:37 Theoretical chemistry Basis set superposition error Energy minimization Gaussian Basis set Chemistry Quantum chemistry Computational chemistry
576	MIT OpenCourseWare http://ocw.mit.edu 5.80 Small-Molecule Spectroscopy and Dynamics Fall 2008 Add to Reading List Source URL: www.chemistry2011.org Language: English - Date: 2013-03-09 19:08:39 Molecular physics Quantum chemistry Computational chemistry Theoretical chemistry Spectroscopy Quantum harmonic oscillator Rigid rotor Hamiltonian Matrix Chemistry Physics Science
577	Simulating Biomolecules on GPUs with the Multilevel Summation Method David J. Hardy Theoretical and Computational Biophysics Group Beckman Institute for Advanced Science and Technology Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2010-09-25 22:53:32 Computational chemistry Molecular modelling Molecular dynamics NAMD Bioinformatics Beckman Institute National Institutes of Health University of Illinois at Urbana–Champaign Science Champaign County Illinois Medicine
578	Macrocycle and Constrained Peptide Simulations Macrocyclic drug-like molecules are being explored in many active drug development programs. Although larger than small drug-like molecules, these structures are much sma Add to Reading List Source URL: www.schrodinger.com Language: English - Date: 2015-02-13 14:09:06 Molecular modelling Computational chemistry Supramolecular chemistry Macrocycle Docking Protein structure prediction Root-mean-square deviation Conformational isomerism Implicit solvation Chemistry Protein structure Bioinformatics
579	eHiTS provides an optimal balance between accuracy and speed in molecular docking. The state of the art conformational search algorithm and eHiTS’ native top-performing scoring function give rise to a superb tool for p Add to Reading List Source URL: www.simbiosys.ca Language: English - Date: 2010-08-19 14:36:27 Biology Molecular modelling Drug discovery Protein structure Simbiosys Computational chemistry Docking DOCK Virtual screening Science Chemistry Bioinformatics

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