[ccp4bb] Postdoc Structural Bioinformatics/Big Data at UC San Diego

[Rose, Peter]

We are looking for a highly motivated postdoc as part of our new project 
“Compressive Structural Bioinformatics” funded by the US National Institutes of 
Health (NIH) Big Data to Knowledge (BD2K) initiative.

The Challenge: To enable efficient research on the rapidly growing number of 3D 
molecular structures of ever increasing size and complexity. Current algorithms 
used in Structural Bioinformatics do not scale well with the rapid growth in 
structural data. In this project, we will employ the latest advances in 
computer science to develop highly scalable, distributed parallel algorithms to 
overcome these limitations.

Qualifications: Ph.D. in one or more of the following research areas

·   Computer Science with a focus on large scale scientific computing

·   Structural Bioinformatics with a focus on new methods development

·   Computational Structural Biology with a focus on improved structure 
solution methods

Experience with the development and performance optimization of scientific 
software. Demonstrated proficiency in a high-level programming language, such 
as Java or Python and experience with state of the art software development 
tools. Strong skills in applied mathematics and algorithm design are required. 
Experience with JavaScript and web development is a plus. High productivity 
demonstrated by publications and contributions to open source software 
projects. Experience in the development and application of modern distributed 
parallel computing environments, such as Apache Big Data projects including 
Apache Spark is a plus. Excellent interpersonal, written, and oral presentation 
skills are essential.

Note, this position is reviewed annually on the basis of performance and can be 
renewed for a maximum of two years.

Our Environment:

The Structural Bioinformatics Lab at the San Diego Supercomputer Center (SDSC) 
(http://www.sdsc.edu) is involved in research and 
development activities centered around 3D structures of proteins and nucleic 
acids, the integration of structural data with other domains such as Medicine, 
Genomics, Biology, Drug Discovery, and the development of scalable solution to 
Big Data problems in Structural Bioinformatics. Our group collaborates closely 
with the RCSB Protein Data Bank (PDB) 
(http://www.rcsb.org) west-coast operations at UCSD. As 
part of the NIH BD2K initiative, we have developed a compact file format for 
ultrafast processing of 3D macromolecular structures 
(http://mmtf.rcsb.org).

As an Organized Research Unit of UC San Diego, SDSC is a world leader in 
data-intensive computing and cyber infrastructure, providing resources, 
services, and expertise to the national research community, including industry 
and academia.

To apply, please send cover letter and resume to Dr. Peter Rose 
(pwr...@ucsd.edu), no later than February 28, 2017.

--
Peter Rose, Ph.D.
Director, Structural Bioinformatics Laboratory
San Diego Supercomputer Center (http://www.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] [Job] Postdoctoral Fellow Position in Structural Bioinformatics at UC San Diego

[Rose, Peter]

We are looking for a highly motivated postdoc as part of our new project 
“Compressive Structural Bioinformatics” funded by the US National Institutes of 
Health (NIH) Big Data to Knowledge (BD2K) initiative.

The Challenge: To enable efficient research on the rapidly growing number of 3D 
molecular structures of ever increasing size and complexity. Current algorithms 
used in Structural Bioinformatics do not scale well with the rapid growth in 
structural data. In this project, we will employ the latest advances in 
computer science to develop highly scalable, distributed parallel algorithms to 
overcome these limitations.

Qualifications: Ph.D. in one or more of the following research areas

·   Computer Science with a focus on large scale scientific computing

·   Structural Bioinformatics with a focus on new methods development

·   Computational Structural Biology with a focus on improved structure 
solution methods

Experience with the development and performance optimization of scientific 
software. Demonstrated proficiency in a high-level programming language, such 
as Java or Python and experience with state of the art software development 
tools. Strong skills in applied mathematics and algorithm design are required. 
Experience with JavaScript and web development is a plus. High productivity 
demonstrated by publications and contributions to open source software 
projects. Experience in the development and application of modern distributed 
parallel computing environments, such as Apache Big Data projects including 
Apache Spark is a plus. Excellent interpersonal, written, and oral presentation 
skills are essential.

Note, this position is reviewed annually on the basis of performance and can be 
renewed for a maximum of two years.

Our Environment:

The Structural Bioinformatics Lab at the San Diego Supercomputer Center (SDSC) 
(http://www.sdsc.edu) is involved in research and 
development activities centered around 3D structures of proteins and nucleic 
acids, the integration of structural data with other domains such as Medicine, 
Genomics, Biology, Drug Discovery, and the development of scalable solution to 
Big Data problems in Structural Bioinformatics. Our group collaborates closely 
with the RCSB Protein Data Bank (PDB) 
(http://www.rcsb.org) west-coast operations at UCSD. As 
part of the NIH BD2K initiative, we have developed a compact file format for 
ultrafast processing of 3D macromolecular structures (http://mmtf.rcsb.org).

As an Organized Research Unit of UC San Diego, SDSC is a world leader in 
data-intensive computing and cyber infrastructure, providing resources, 
services, and expertise to the national research community, including industry 
and academia.

To apply, please send cover letter and resume to Dr. Peter Rose 
(pwr...@ucsd.edu), no later than January 31, 2017.

--
Peter Rose, Ph.D.
Director, Structural Bioinformatics Laboratory
San Diego Supercomputer Center (http://www.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] Postdoctoral Fellow Position in Structural Bioinformatics at RCSB PDB/UC San Diego

[Rose, Peter]

Summary: We are looking for a talented and highly motivated postdoc to join our 
multidisciplinary team at UC San Diego.

The Challenge: Develop innovate analysis, data integration, query, and 
visualization tools for 3D biomolecular structures to help accelerate research 
and training in biology, medicine, and related disciplines. In this project, we 
will employ the latest advances in computer science to develop highly 
interactive features and scalable services and workflows for the RCSB PDB 
website (http://www.rcsb.org).

This position is a unique opportunity to engage in leading edge research, 
development, and outreach activities of the RCSB PDB with worldwide impact.

Qualifications: Ph.D. in one or more of the following research areas

·   Structural Bioinformatics, or related field with a focus on software 
development

·   Structural Biology with a focus on software development

·   Computer Science with a focus on bioinformatics algorithm development 
or visualization

Demonstrated proficiency in a high-level programming language, such as Java or 
Python and experience with state of the art software development tools. 
Experience with front-end programming languages (JavaScript) and libraries. 
Strong skills in problem solving and algorithm design are required. High 
productivity demonstrated by publications and contributions to open source 
software projects. Experience in the development of modern web applications, 
user interface design, or scientific visualization is a plus. Excellent written 
and oral communication skills.

Note, this position is reviewed annually on the basis of performance and can be 
renewed.

Our Environment:

The Structural Bioinformatics Group 
(http://bioinformatics.sdsc.edu) at the San 
Diego Supercomputer Center (SDSC) (http://www.sdsc.edu) 
is involved in research and development activities centered around 3D 
structures of proteins and nucleic acids, the integration of structural data 
with other domains such as Medicine, Genomics, Biology, Drug Discovery, and the 
development of scalable solution to Big Data problems in Structural 
Bioinformatics. Our group leads the RCSB Protein Data Bank (PDB) west-coast 
operations. The RCSB PDB (http://www.rcsb.org) represents 
the preeminent source of experimentally determined macromolecular structure 
information for research and teaching in biology, biological chemistry, and 
medicine. With over 300,000 unique users from over 160 countries around the 
world, the RCSB PDB is one of the leading worldwide Biological Databases. Our 
group is also involved in the National Institutes of Health (NIH) Big Data to 
Knowledge (BD2K) initiative.

As an Organized Research Unit of UC San Diego, SDSC is a world leader in 
data-intensive computing and cyber infrastructure, providing resources, 
services, and expertise to the national research community, including industry 
and academia.

To apply, please send cover letter and resume to Dr. Peter Rose 
(peter.r...@rcsb.org).

--
Peter Rose, Ph.D.
Site Head, RCSB Protein Data Bank West 
(http://www.rcsb.org)
Principal Investigator, Structural Bioinformatics Laboratory 
(http://bioinformatics.sdsc.edu)
San Diego Supercomputer Center (http://www.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] [Job] Postdoctoral Fellows Computational Biology at UC San Diego

[Rose, Peter]

San Diego Supercomputer Center
Postdoctoral Fellow

Summary: We are looking for two highly motivated post-docs as part of our new 
project “Compressive Structural Bioinformatics” funded by the US National 
Institutes of Health (NIH) Big Data to Knowledge (BD2K) initiative.

The Challenge: To enable efficient research on the rapidly growing number of 3D 
molecular structures of ever increasing size and complexity. Develop highly 
scalable 3D structural search, analysis, workflow, data-exchange, and 
visualization tools.

Qualifications: Ph.D. in structural bioinformatics, structural biology, 
bioinformatics, computational biology or chemistry, computer science, or 
related discipline. Experience with scientific software development as 
demonstrated by publications or participation in open source software projects. 
Experience with several programming languages, including Java, JavaScript, C++, 
or Python, and software development tools. Strong skills in applied mathematics 
and algorithm design are required. Experience with distributed parallel 
computing or 3D visualization applications are a plus. Excellent interpersonal, 
written, and oral presentation skills are essential.

Note, this position is reviewed annually on the basis of performance and can be 
renewed for a maximum of three years.

Our Environment:

The Structural Bioinformatics Group 
(http://bioinformatics.sdsc.edu) at the San 
Diego Supercomputer Center (SDSC) (http://www.sdsc.edu) 
is involved in research and development activities centered around 3D 
structures of proteins and nucleic acids, the integration of structural data 
with other domains such as Medicine, Genomics, Biology, Drug Discovery, and the 
development of scalable solution to Big Data problems in Structural 
Bioinformatics. Our group leads the RCSB Protein Data Bank (PDB) west-coast 
operations. The RCSB PDB (http://www.rcsb.org) represents 
the preeminent source of experimentally determined macromolecular structure 
information for research and teaching in biology, biological chemistry, and 
medicine. With over 300,000 unique users from over 160 countries around the 
world, the RCSB PDB is one of the leading worldwide Biological Databases.

As an Organized Research Unit of UC San Diego, SDSC is a world leader in 
data-intensive computing and cyber infrastructure, providing resources, 
services, and expertise to the national research community, including industry 
and academia.

To apply, please send cover letter and resume to Dr. Peter Rose 
(pwr...@ucsd.edu).

--
Peter Rose, Ph.D.
Site Head, RCSB Protein Data Bank West 
(http://www.rcsb.org)
Principal Investigator, Structural Bioinformatics Laboratory 
(http://bioinformatics.sdsc.edu)
San Diego Supercomputer Center (http://www.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] [Job] Computational Biologist/Structural Bioinformatics/Big Data Analytics at UC San Diego

[Rose, Peter]

Computational and Data Science Research Specialist

The Structural Bioinformatics Group at the San Diego
Supercomputer Center (SDSC) is seeking an exceptional scientific
software developer to work on our new project “Compressive Structural
Bioinformatics” funded by the US National Institutes of Health (NIH) Big Data 
to Knowledge (BD2K) initiative 
(https://datascience.nih.gov/bd2k/funded-programs/software).
The Challenge is to enable efficient research on the rapidly growing
number of 3D molecular structures of ever increasing size and
complexity, and develop highly scalable 3D structural search, analysis,
workflow, data-exchange, and visualization tools.

Our team values open discussion and contribution. Starting from
your first day, you will shape software and services used by thousands
of people around the world. Have a great idea? Let's hear it. Want to
try a new technology? Let's learn it. Want to write code at scale? Let's
do it. Everyone at our organization is passionate about what we do, and
that is why we are leaders in our field. We want to hear from skilled
scientists and software developers, people passionate about their craft
and what they can bring to the field.

The Structural Bioinformatics Group is involved in research and
development activities centered around 3D structures of proteins and
nucleic acids, the integration of structural data with other domains
such as Medicine, Genomics, Biology, Drug Discovery, and the development
of scalable solution to Big Data problems in Structural Bioinformatics.
Our group leads the RCSB Protein Data Bank (PDB) (http://www.rcsb.org)
west-coast operations, which represents the preeminent source of
experimentally determined macromolecular structure information for
research and teaching in biology, biological chemistry, and medicine.
With over 300,000 unique users from over 160 countries around the world,
the RCSB PDB is one of the leading worldwide Biological Databases.

This position researches, designs, develops, and deploys
innovative, highly scalable solutions for 3D structure visualization,
structural queries, and large-scale analyses of 3D macromolecular
complexes. Develops protocols for the efficient network data transfer
using custom compression and streaming techniques to facilitate 3D
visualization of large complexes on any device from phone, tablet, to
laptop and desktop. Designs distributed parallel workflows for
structural queries and analysis of the PDB archive.

Qualifications:
* Bachelor's degree in Structural Bioinformatics, Bioinformatics,
Computational Biology, Computer Science or comparable combination of
education and experience with considerable focus in scientific software
development demonstrated by publications, participation in open source
or other types of software projects. Strong skills in applied
Mathematics and algorithm design. MS or Ph.D. degree preferred.

* Experience in the representation and data structures of
ligands, proteins, nucleic acids, and associated sequence information.
Experience with 3D structure and sequence analysis algorithms.

* Advanced experience in one or more of the following object
oriented programming languages:Java, JavaScript, C++, or Python.
Experience with software development tools including IDEs, Maven, Git,
and continuous integration tools.

* Experience in one or more of the following: development of 3D
visualization applications and knowledge of OpenGL/WebGL, development of
distributed parallel programming models using "Big Data" frameworks
such as Apache Hadoop or Spark, setup of these frameworks on compute
clusters, or development of workflow applications.

* Demonstrated effective communication and interpersonal skills.
Demonstrated ability to communicate technical information to technical
and non-technical personnel at various levels in the organization and to
external research and education audiences.

For more requirements or to apply, please view the UCSD job page 
(http://jobs.ucsd.edu/bulletin/job.aspx?cat=information&sortby=post&jobnum_in=77059).


--
Peter Rose, Ph.D.
Site Head, RCSB Protein Data Bank West (http://www.rcsb.org)
San Diego Supercomputer Center (http://bioinformatics.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] [Job] Web Developer at RCSB PDB, UC San Diego

[Rose, Peter]

The RCSB PDB is seeking exceptional Developers, and we know we're not alone in 
our search. So why choose to work with us? Our team values open discussion and 
contribution. Starting from your first day, you will shape software and 
services used by thousands of people around the world. Our organization can 
trace its lineage back to the 1970's, but we still operate like a start up. 
Have a great idea, let's hear it. Want to try a new technology, let's learn it. 
Want to write code at scale, let's do it. Everyone at our organization is 
passionate about what we do, and that is why we are leaders in our field. We 
want to hear from skilled Developers, people passionate about their craft and 
what they can bring to the field.
We are looking for two experienced Developers to join our team of agile 
software Developers at the University of California, San Diego. By joining our 
team, a successful applicant would be able to contribute to a variety of 
projects ranging from:

  *   Front end development using HTML, CSS, Javascript, JSP, and NodeJS
 *   Our core business is our website and web services
  *   Middleware development that leverages Memcached, Hibernate and RabbitMQ
 *   How we scale to meet tens of thousands of unique users every day
  *   Back end development using Java, MySQL/MariaDB, and NoSQL solutions
 *   How we incorporate and add value to the scientific community
  *   Special projects
 *   Search using Apache Solr
 *   Scalable solutions built on top of OpenStack, Hadoop, and Spark

The RCSB Protein Data Bank (www.rcsb.org) is one of the 
world’s leading biological databases with more than 300,000 unique users per 
month from over 160 countries. It enables access to the singular global archive 
of the three-dimensional structures of proteins and nucleic acids and is a key 
resource for the design of new medicines, biofuels, nanomaterials, and enables 
fundamental discoveries in biology and medicine.
Requirements:

  *   BS degree in Computer Science or related field
  *   A minimum of 2 years of experience developing dynamic, highly scalable, 
database-driven web applications using HTML, CSS, JavaScript and Java/JSP
  *   Demonstrable experience with database design and systems
 *   Experience with NoSQL database systems, object-relational mapping 
using Hibernate and distributed parallel computing is a plus
  *   Citable experience using agile software development and test-driven design

For more requirements or to apply, please view the UCSD job page 
(https://jobs.ucsd.edu/bulletin/job.aspx?cat=new&sortby=post&jobnum_in=75896).

Peter Rose, Ph.D.
Site Head, RCSB Protein Data Bank West 
(http://www.rcsb.org)
San Diego Supercomputer Center 
(http://bioinformatics.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] Web Developers at RCSB PDB at University of California, San Diego

[Rose, Peter]

The RCSB PDB is seeking exceptional Developers, and we know we're not alone in 
our search. So why choose to work with us? Our team values open discussion and 
contribution. Starting from your first day, you will shape software and 
services used by thousands of people around the world. Our organization can 
trace its lineage back to the 1970's, but we still operate like a start up. 
Have a great idea, let's hear it. Want to try a new technology, let's learn it. 
Want to write code at scale, let's do it. Everyone at our organization is 
passionate about what we do, and that is why we are leaders in our field. We 
want to hear from skilled Developers, people passionate about their craft and 
what they can bring to the field.
We are looking for two experienced Developers to join our team of agile 
software Developers at the University of California, San Diego. By joining our 
team, a successful applicant would be able to contribute to a variety of 
projects ranging from:

  *   Front end development using HTML, CSS, Javascript, JSP, and NodeJS
 *   Our core business is our website and web services
  *   Middleware development that leverages Memcached, Hibernate and RabbitMQ
 *   How we scale to meet tens of thousands of unique users every day
  *   Back end development using Java, MySQL/MariaDB, and NoSQL solutions
 *   How we incorporate and add value to the scientific community
  *   Special projects
 *   Search using Apache Solr
 *   Scalable solutions built on top of OpenStack, Hadoop, and Spark

The RCSB Protein Data Bank (www.rcsb.org) is one of the 
world’s leading biological databases with more than 300,000 unique users per 
month from over 160 countries. It enables access to the singular global archive 
of the three-dimensional structures of proteins and nucleic acids and is a key 
resource for the design of new medicines, biofuels, nanomaterials, and enables 
fundamental discoveries in biology and medicine.
Requirements:

  *   BS degree in Computer Science or related field
  *   A minimum of 2 years of experience developing dynamic, highly scalable, 
database-driven web applications using HTML, CSS, JavaScript and Java/JSP
  *   Demonstrable experience with database design and systems
 *   Experience with NoSQL database systems, object-relational mapping 
using Hibernate and distributed parallel computing is a plus
  *   Citable experience using agile software development and test-driven design

For more requirements or to apply, please view the UCSD job 
page.

[ccp4bb] Postdoctoral Fellows in Big Data/Structural Bioinformatics at University of California, San Diego

[Rose, Peter]

Summary: We are looking for two highly motivated post-docs as part of our new 
project “Compressive Structural Bioinformatics” funded by the US National 
Institutes of Health (NIH) Big Data to Knowledge (BD2K) initiative.

The Challenge: To enable efficient research on the rapidly growing number of 3D 
molecular structures of ever increasing size and complexity. Develop highly 
scalable 3D structural search, analysis, workflow, data-exchange, and 
visualization tools.

Qualifications: Ph.D. in structural bioinformatics, structural biology, 
bioinformatics, computational biology or chemistry, computer science, or 
related discipline. Experience with scientific software development as 
demonstrated by publications or participation in open source software projects. 
Experience with several programming languages, including Java, JavaScript, C++, 
or Python, and software development tools. Strong skills in applied mathematics 
and algorithm design are required. Experience with distributed parallel 
computing or 3D visualization applications are a plus. Excellent interpersonal, 
written, and oral presentation skills are essential.

Note, this position is reviewed annually on the basis of performance and can be 
renewed for a maximum of three years.

Our Environment:

The Structural Bioinformatics Group 
(http://bioinformatics.sdsc.edu) at the San 
Diego Supercomputer Center (SDSC) (http://www.sdsc.edu) 
is involved in research and development activities centered around 3D 
structures of proteins and nucleic acids, the integration of structural data 
with other domains such as Medicine, Genomics, Biology, Drug Discovery, and the 
development of scalable solution to Big Data problems in Structural 
Bioinformatics. Our group leads the RCSB Protein Data Bank (PDB) west-coast 
operations. The RCSB PDB (http://www.rcsb.org) represents 
the preeminent source of experimentally determined macromolecular structure 
information for research and teaching in biology, biological chemistry, and 
medicine. With over 300,000 unique users from over 160 countries around the 
world, the RCSB PDB is one of the leading worldwide Biological Databases. Our 
group is involved in the National Institutes of Health (NIH) Big Data to 
Knowledge (BD2K) initiative.

As an Organized Research Unit of UC San Diego, SDSC is a world leader in 
data-intensive computing and cyber infrastructure, providing resources, 
services, and expertise to the national research community, including industry 
and academia.

To apply, please send cover letter and resume to Dr. Peter Rose 
(pwr...@ucsd.edu).

--
Peter Rose, Ph.D.
Site Head, RCSB Protein Data Bank West 
(http://www.rcsb.org)
Principal Investigator, Structural Bioinformatics Laboratory 
(http://bioinformatics.sdsc.edu)
San Diego Supercomputer Center (http://www.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] Postdoctoral Fellows Computational Biology - UC San Diego

[Rose, Peter]

University of California, San Diego
San Diego Supercomputer Center
Postdoctoral Fellow

Summary: We are looking for two highly motivated post-docs as part of our new 
project “Compressive Structural Bioinformatics” funded by the US National 
Institutes of Health (NIH) Big Data to Knowledge (BD2K) initiative.

The Challenge: To enable efficient research on the rapidly growing number of 3D 
molecular structures of ever increasing size and complexity. Develop highly 
scalable 3D structural search, analysis, workflow, data-exchange, and 
visualization tools.

Qualifications: Ph.D. in structural bioinformatics, structural biology, 
bioinformatics, computational biology or chemistry, computer science, or 
related discipline. Experience with scientific software development as 
demonstrated by publications or participation in open source software projects. 
Experience with several programming languages, including Java, JavaScript, C++, 
or Python, and software development tools. Strong skills in applied mathematics 
and algorithm design are required. Experience with distributed parallel 
computing or 3D visualization applications are a plus. Excellent interpersonal, 
written, and oral presentation skills are essential.

Note, this position is reviewed annually on the basis of performance and can be 
renewed for a maximum of three years.

Our Environment:

The Structural Bioinformatics Group (http://bioinformatics.sdsc.edu) at the San 
Diego Supercomputer Center (SDSC) (http://www.sdsc.edu) is involved in research 
and development activities centered around 3D structures of proteins and 
nucleic acids, the integration of structural data with other domains such as 
Medicine, Genomics, Biology, Drug Discovery, and the development of scalable 
solution to Big Data problems in Structural Bioinformatics. Our group leads the 
RCSB Protein Data Bank (PDB) west-coast operations. The RCSB PDB 
(http://www.rcsb.org) represents the preeminent source of experimentally 
determined macromolecular structure information for research and teaching in 
biology, biological chemistry, and medicine. With over 300,000 unique users 
from over 160 countries around the world, the RCSB PDB is one of the leading 
worldwide Biological Databases. Our group is involved in the National 
Institutes of Health (NIH) Big Data to Knowledge (BD2K) initiative.

As an Organized Research Unit of UC San Diego, SDSC is a world leader in 
data-intensive computing and cyber infrastructure, providing resources, 
services, and expertise to the national research community, including industry 
and academia.

To apply, please send cover letter and resume to Dr. Peter Rose 
(pwr...@ucsd.edu).

--
Peter Rose, Ph.D.
Site Head, RCSB Protein Data Bank West 
(http://www.rcsb.org)
Principal Investigator, Structural Bioinformatics Laboratory 
(http://bioinformatics.sdsc.edu)
San Diego Supercomputer Center (http://www.sdsc.edu)
University of California, San Diego
+1-858-822-5497

[ccp4bb] Senior Scientist and Senior Java Web Developer positions at RCSB PDB/UCSD

[Rose, Peter]

The RCSB PDB at UC San Diego seeks candidates with a track record of 
achievement in Structural and Computational Biology combined with strong 
Scientific Software Development expertise.

For details and direction to apply please follow this link:
http://www.rcsb.org/pdb/static.do?p=general_information/about_pdb/contact/job_listings.html

For more information about UCSD, please visit http://www.ucsd.edu/. As part of 
the University of California, we offer a generous benefits package plus many 
educational opportunities.

Please contact Dr. Peter Rose at pwr...@ucsd.edu for 
more information about the positions.


Peter Rose, Ph.D.
Scientific Lead, RCSB Protein Data Bank (http://www.rcsb.org)
San Diego Supercomputer Center
University of California, San Diego

Re: [ccp4bb] Ligand binding protein partner search

[Rose, Peter]

You may use similarity to known ligands to find potential binding partners in 
the PDB.

Try a ligand similarity search for your ligand:
http://www.rcsb.org/pdb/search/advSearch.do

From the menu, choose “Chemical Structure” and draw your ligand. Then select 
“Search Type: Similar”. This search will return PDB entries with ligands that 
are chemically similar to your ligand.

Peter Rose,
RCSB PDB

From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of L
Sent: Monday, October 14, 2013 4:53 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Ligand binding protein partner search

Hi all,

I'm looking for a way to find/predict protein partner(s) for our ligand (small 
chemical; MW<500 Da).

There're lots of servers and softwares to find/predict a ligand with known 
protein structure, but hardly find a way to discover potential protein 
partner(s) with known ligand.

That would be great if anyone give me a clue. Web server, software, any 
suggestion are all appreciated.

Thank you

L