Computational chemistry - PDFSEARCH.IO - Document Search Engine

Computational chemistry
Results: 1931

#	Item
511	RDKit Documentation ReleaseGreg Landrum October 31, 2014 Add to Reading List Source URL: rdkit.org Language: English - Date: 2014-10-31 00:18:26 Cheminformatics Computational chemistry NumPy Yellowdog Updater Modified BALL RPM Package Manager CentOS Molecular descriptor Python Software Science Computing
512	Agenda Meeting title: CCP4 Working Group 2 meeting and Gui2 demo Date: Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2014-09-29 04:57:08 Agenda Computational chemistry CCP4 MRC
513 $Crystallography / Diffraction / Proteins / Protein structure / X-ray crystallography / Protein / Hemoglobin / Resolution / Molecular model / Chemistry / Science / Biology$	DARESBURY LABORATORY INFORMATION QUARTERLY for PROTEIN CRYSTALLOGRAPHY An Informal Newsletter associated with Collaborative Computational Project No.4 Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2012-08-24 09:21:06 Crystallography Diffraction Proteins Protein structure X-ray crystallography Protein Hemoglobin Resolution Molecular model Chemistry Science Biology
514	Minutes of WG2 meeting 11 February 2009 at York Present: Phil Evans (MRC-LMB) (chair), Jan White (Sheffield), Paul Emsley (Oxford), Eleanor Dodson (York), Arwen Pearson (Leeds), Frank von Delft (SGC), Khushwant Sidhu ( Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2009-02-13 05:13:07 Arwen PDB Computing Science Computational chemistry CCP4 MRC
515	The WG1 Meeting was held aton Sunday 4 January 2009 in Conference Suite 4 a/b in the Nottingham Conference Centre Present Present. Jim Naismith (St. Andrews – Chair) Keith Wilson (York - Secretary) Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2009-01-27 09:57:16 Science Application software Coot GTK+ CCP4 MRC Molecular replacement International Organization for Standardization Crystallography Computational chemistry Chemistry
516	PLANT BIOINFORMATICS Applications ASTRID JUNKER, EVA GRAFAHREND-BELAU, ANJA HARTMANN, KAMBIZ BAGHALIAN, TOBIAS CZAUDERNA, MATTHIAS KLAPPERSTÜCK, HENDRIK MEHLHORN, HENDRIK ROHN AND FALK SCHREIBER RIMAS Add to Reading List Source URL: www.cls.zju.edu.cn Language: English - Date: 2013-06-17 21:43:16 Bioengineering Mathematical and theoretical biology Bioinformatics Biostatistics Computational biology Metabolism Genomics Enzyme Biology Science Chemistry
517	MCPRO, Version 2.0 Monte Carlo Simulations for Biomolecules User’s Manual William L. Jorgensen and Julian Tirado-Rives Department of Chemistry, Yale University Add to Reading List Source URL: www.cemcomco.com Language: English - Date: 2005-02-25 15:46:15 Force field Molecular dynamics OPLS Molecular mechanics BOSS Solution Partition coefficient Z-matrix Chemistry Computational chemistry Molecular modelling
518	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 19:11:10 Computational chemistry Theoretical chemistry Molecular physics Raman spectroscopy Fermi resonance Rotational spectroscopy Diatomic molecule Energy level Chemistry Spectroscopy Quantum chemistry
519	MINUTES OF THE WORKING GROUP 1 MEETING OF CCP4 HELD AT YORK ON JANUARY 4, 2004 Present: Jim Naismith (Chairman) Keith Wilson Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2008-05-02 11:04:41 CCP4 Science and technology in the United Kingdom Research Councils Council for the Central Laboratory of the Research Councils Daresbury Laboratory Daresbury MRC Laboratory information management system Crystallography Computational chemistry Science Chemistry
520	Minutes of WG2 meeting at RCaHPresent: Eleanor Dodson - York Phil Evans - MRC LMB Alun Ashton - Diamond Ronan Keegan - CCP4 RAL Add to Reading List Source URL: www.ccp4.ac.uk Language: English - Date: 2010-03-22 11:57:39 Software Crystallography Coot GTK+ CCP4 MRC Rsync RAL Computational chemistry Science Chemistry

UPDATE