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CHARMM
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1	Title Authors Affiliations Add to Reading List Source URL: www.csb.pitt.edu Language: English - Date: 2013-11-27 16:23:31 Chemistry Tricyclic antidepressants Dibenzazepines Computational chemistry Free energy perturbation Serotonin antagonists Q CHARMM Imipramine Force field Clomipramine Amine
2	Large biomolecular simulation on HPC platforms III. AMBER, CHARMM, GROMACS, LAMMPS and NAMD Hannes H. Loeffler, a Martyn D. Winn a a Computational Add to Reading List Source URL: www.hecbiosim.ac.uk Language: English - Date: 2016-01-28 09:58:03
3	Workshop #3: PyRosetta Scoring Scoring Poses A basic function of Rosetta is calculating the energy or score of a biomolecule. Rosetta has a standard energy function for all-atom calculations as well as several scoring fu Add to Reading List Source URL: graylab.jhu.edu Language: English - Date: 2014-02-05 16:58:07 Chemistry Nature Protein structure Bioinformatics Intermolecular forces Molecular modelling Computational chemistry Hydrogen bond CHARMM Force field
4	LA-URAllostery in a Coarse-Grained Model of Protein Dynamics Dengming Ming Computer and Computational Sciences Division, Los Alamos National Laboratory, Los Alamos, NM 87545, USA Add to Reading List Source URL: public.lanl.gov Language: English - Date: 2006-03-28 11:40:21 Chemistry Molecular modelling Force field CHARMM Trypsinogen Turn Trypsin
5	iAPBS Interface: Users’s Guide Robert Konecny University of California San Diego National Biomedical Computation Resource Center for Theoretical Biological Physics Add to Reading List Source URL: mccammon.ucsd.edu Language: English - Date: 2012-12-10 12:26:47 Force fields Colloidal chemistry Physics Poisson–Boltzmann equation Subroutines CHARMM Fortran Make Wrapper function Computing Computer programming Software engineering
6	University of Illinois at Urbana-Champaign NIH Resource for Macromolecular Modeling and Bioinformatics Beckman Institute Computational Biophysics Workshop Molecular Dynamics Add to Reading List Source URL: www.ks.uiuc.edu Language: English - Date: 2015-02-13 17:21:14 Application software Visual Molecular Dynamics Protein structure Molecular modelling Crystallography Bioinformatics NAMD CHARMM Molecular dynamics Chemistry Science Computational chemistry
7	Microsoft Word - taufer_metrics_submitted.doc Add to Reading List Source URL: gcl.cis.udel.edu Language: English - Date: 2007-12-25 09:42:15 Molecular modelling Bioinformatics Parallel computing Concurrent computing Computational chemistry CHARMM Folding@home Computer cluster Reliability engineering Chemistry Computing Science
8	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 09:21:07 Harvard University Intermolecular forces Molecular modelling Hydrogen bond Frodo Baggins Dynamical simulation Dynamical system Chemistry Science CHARMM
9	1 Studying Protein Folding on the Grid: Experiences using CHARMM on NPACI Resources under Legion Anand Natrajan, Michael Crowley, Nancy Wilkins-Diehr, Marty A. Humphrey, Anthony D. Fox, Andrew S. Grimshaw, Charles L. Br Add to Reading List Source URL: www.cs.virginia.edu Language: English - Date: 2001-05-21 13:50:20 CHARMM Harvard University Grid computing Batch processing Scheduling Operating system Virtual machine Force field Distributed computing Concurrent computing Chemistry Computing
10	MGMS and RSC MMG Young Modellers’ Forum 2014 PROGRAMME & ABSTRACTS Programme of Oral Presentations 8.45 – – 9.30 Add to Reading List Source URL: www.mgms.org Language: English - Date: 2014-11-19 13:31:14 Bioinformatics Computational science Computational chemistry Molecular modelling Molecular dynamics Drug design Virtual screening CHARMM Structural genomics Science Chemistry Drug discovery

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