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CasegroupDavid Case Research Group
http://casegroup.rutgers.edu/
David Case Research Group
http://casegroup.rutgers.edu/
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https://casegroup.rutgers.edu
David Case Research Group
SATOH daisuke, Ph.D: My work
http://3rise3set.blogspot.com/p/my-work.html
SATOH daisuke, Ph.D. SATOH daisuke, Ph.D. The movie of protein folding by using Multicanonical Molecular Dynamics(MD) simulation. Molecular dynamics simulation (MD). Kentaro Shimizu, Shugo Nakamura, Tohru Terada:. Folding free-energy landscape of a 10-residue mini-protein, chignolin,. Tohru Terada, Daisuke Satoh. Tsutomu Mikawa, Yutaka Ito, Kentaro Shimizu:. Understanding the roles of amino acid residues in tertiary structure formation of chignolin by using molecular dynamics simulation,. 寺田透, 中村周吾, 清水謙多郎.
DOCK Links
http://dock.compbio.ucsf.edu/DOCK_Links/index.htm
The Official UCSF DOCK Web-site. Older Versions of DOCK. Links Related to DOCKing. Library required to compile MPI function. Linux-like environment required to run Windows version of DOCK. Fortran compiler required to run accessory programs on MacIntosh. Computes molecular surface of molecule. Interconverts a number of file formats currently used in molecular modeling. Visualization and computation of chemical properties. Visualization and computation of chemical properties. U Mass, Amherst.
Links - Welcome to Pengfei (Jimmy) Li's Webpage
http://pengfei-li.weebly.com/links.html
Welcome to Pengfei (Jimmy) Li's website! Welcome to Pengfei (Jimmy) Li's Webpage. University of Illinois Urbana-Champaign. UIUC Department of Chemistry. MSU Department of Chemistry. MSU Institute for Cyber-Enabled Research. 8203;University of Florida. UF Department of Chemistry. Quantum Theory Project at UF. XMU College of Chemistry and Chemical Engineering. Research Group of Prof. Kennie Merz. 8203;Research Group of Prof. Sharon Hammes-Schiffer. Research Group of Prof. David Case. Create a free website.
UCSF DOCK 6
http://dock.compbio.ucsf.edu/DOCK_6/index.htm
The Official UCSF DOCK Web-site. Older Versions of DOCK. DOCK 6 is written in C and is functionally separated into independent components, allowing a high degree of program flexibility. Accessory programs are written in C and Fortran 77. We provide source code for all programs. The DOCK suite of programs requires on the order of 100 MB of disk space and 48 MB RAM. And molecular dynamics simulation capabilities. Because DOCK 6 is an extension of DOCK 5, it also includes all previous features.
UCSF DOCK 3.7
http://dock.compbio.ucsf.edu/DOCK3.7
The Official UCSF DOCK Web-site. Older Versions of DOCK. Is written in Fortran (and some C); it is an update of DOCK 3.6. With many improved features. It uses new Flexibase/DB2 files found on ZINC. If you use DOCK3.7, please cite the following paper: Coleman, Carchia, Sterling, Irwin and Shoichet. PLOS ONE 2013. Highlights of new features:. New mol2 output with full atom typing and bond information. Improved sampling algorithm with better control of sampling. Multiple ligand pose output.
ISQBP People
http://isqbp.umaryland.edu/People.htm
Indicates up for election. The advisory board is comprised of past ISQBP presidents that remain active in the society. Board members include. Per-Olov Löwdin 1970-197? Recipients of ISQBP Awards. Former ISQBP Executive Council Member and Councilors. Last updated June 2016.
Proteomics Faculty | Proteomics Public
http://public.proteomics.rutgers.edu/faculty
Skip to main content. Chemistry and Chemical Biology. Helen M. Berman. Board of Governors Professor Chemistry and Chemical Biology;. Director Emerita, RCSB Protein Data Bank;. Founding Director, Center for Integrative Proteomics Research. Stephen K. Burley. Director, Center for Integrative Proteomics Research;. Director, RCSB Protein Data Bank;. Founding Director, Institute for Quantitative Biomedicine at Rutgers;. Distinguished Professor, Chemistry and Chemical Biology;. Chemistry and Chemical Biology.
UCSF DOCK 3.6
http://dock.compbio.ucsf.edu/DOCK3.6
The Official UCSF DOCK Web-site. Older Versions of DOCK. Is written in Fortran (and some C); it is an update of DOCK 3.5.54. With many improved features. It maintains compatibility with Flexibase/DB files found on ZINC. Highlights of new features:. Ligand Desolvation as described in Mysinger MM, Shoichet BK. Rapid context-dependent ligand desolvation in molecular docking. J Chem Inf Model. 2010 Sep 27; 50(9):1561-73. 300 to 500% speedup. 32bit and 64bit versions. Ligand build problems fixed ( mol2db.
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