Experience

University of Illinois Chicago

• United States
• Higher Education
• 700 & Above Employee

• • Jun 2013 - Present

  Attended the IUCr2014 meeting in Montreal and presented Master Course at the Institute Pasteur de Montevideo, Uruguay, Nov. 1-8. 2014. At the IUCr2014 meeting presented two talks: one on Bernal's Picasso and another one on the Acta Cryst paper on Cathedral Windows.Back in the US again after extensive traveling in Europe to commemorate the International Year of Crystallography (IYCr2014) in Paris, workshop in the HIPS center in Saarbrucken, Germany and work in Cambridge, UK with my colleagues at Optibrium, to incorporate the AtlasCBS into their software StarDrop that now includes a script for the AtlasCBs and allows the exploration of Ligand Efficiency Indices within a MultiParameter Optimization (MPO) environment. A publication on Future of Medicinal Chemistry will appear in the April issue, 2014. Also, an interesting essay recently published in Acta Cryst D on 'The Beauty of Rose Windows and the Different Meanings of Symmetry', discussing the meaning of the symmetry in the windows of Gothic Cathedrals. (Acta Cryst D, D70, 904-911). Collaborating with Mr. Painton Cowen, an expert in rose windows and stained glass to expand and complement his website: www.therosewindow.com.-Also article in Acta Cryst D (the same issue) on the structure of PurC (enzyme from the purine biosynthesis pathway) of S. pneumoniae with my colleagues form UIC: M. Johnson and L. Fung, work done by student Nina Wolf. ---Back in the US from visiting professorship at the University of Alcala de Henares (UAH), Spain.Continuing working on the AtlasCBS development (Feb.-June, 2013).Inaugurated 'Crystal Edges', a blog to commemorate the 100 years of the birth of the modern science of crystallography, which has had so much impact in understanding the atomic nature of the world around us. Consult my website's leftmost tab or visit 'crystaledges.org'.Paper on the use of Humidity Control of protein crystals to introduce small organic ligands into proteins. Show less

• • Mar 2007 - Present

  Adjunct Professor at the Center for Pharmaceutical Biotechnology.Developing computational methods to direct drug discovery usingthe concepts of Ligand Efficiency Indices (LEIs).Member of the NASW. Writing essays, plays, books, newspaper articles and columns (English, Spanish) with the goal of communicating Science to the lay public and society at large. The Sciences and the Arts are similar endeavors of the creative energy of the human spirit and both should be considered part of the culture of the nations and of humankind. Show less



University of Alcala de Henares

• Alcala de Henares (Madrid), Spain

• Visiting Professor

  • Feb 2013 - Present

  Visiting Professor to improve and develop the AtlasCBS server and to train students and professionals in its use. Training using the recently published book: 'Ligand Efficiency Indices for Drug Discovery: Towards an Atlas-Guided Paradigm' (Elsevier, Academic Press, February, 2013). Visiting Professor to improve and develop the AtlasCBS server and to train students and professionals in its use. Training using the recently published book: 'Ligand Efficiency Indices for Drug Discovery: Towards an Atlas-Guided Paradigm' (Elsevier, Academic Press, February, 2013).



Optibrium

• United Kingdom
• Biotechnology Research
• 1 - 100 Employee

• Colleague/Collaborators

  • Jun 2012 - Present

  Common Interests in using Ligand Efficiency Indices (LEIs) to expedite and direct Drug Discovery using MPO (Multiparameter Optimization). Common Interests in using Ligand Efficiency Indices (LEIs) to expedite and direct Drug Discovery using MPO (Multiparameter Optimization).



Center for Pharmaceutical Biotechnology

• Adjunct Professor to the Graduate Faculty

  • 2005 - Present



Center Molecular Biology Severo Ochoa, Madrid-Spain

• Visiting Scientist

  • May 2011 - Aug 2011

  Supported by grant from the Spanish Ministery of Science and Technology to develop the AtlasCBS concept in collaboration with Prof. F. Gago (Universidad de Alcala) and Dr. A. Morreale, (CBMSO) Supported by grant from the Spanish Ministery of Science and Technology to develop the AtlasCBS concept in collaboration with Prof. F. Gago (Universidad de Alcala) and Dr. A. Morreale, (CBMSO)



Parc Cientific Barcelona

• Visiting Professor

  • Feb 2010 - Jul 2011

  Working with the Plataform Automatizada de Cristalografia (PAC) and Plataform of Drug Discovery to develop drug discovery at the PCB campus in Barcelona Working with the Plataform Automatizada de Cristalografia (PAC) and Plataform of Drug Discovery to develop drug discovery at the PCB campus in Barcelona



Parc Cientific de Barcelona

• Visiting Scientist

  • 2010 - 2010

  Demostrate the use of Humidity Control in protein crystals to optimize ligand soaking in crystals. Demostrate the use of Humidity Control in protein crystals to optimize ligand soaking in crystals.



European Bioinformatics Institute | EMBL-EBI

• United Kingdom
• Software Development
• 700 & Above Employee

• Visiting Scientist

  • Sep 2009 - Dec 2009

  Spending a two month period at the EBML-EBI group in Hinxton, Cambridge, UK to work on a application of LEIs to databases and drug discovery. Spending a two month period at the EBML-EBI group in Hinxton, Cambridge, UK to work on a application of LEIs to databases and drug discovery.



European Bioinformatics Institute

• Visiting Scientist

  • 2009 - Dec 2009

  Conceived and design the concept of AtlasCBS: Atlas of Chemico Biological Space Conceived and design the concept of AtlasCBS: Atlas of Chemico Biological Space



Abbott

• United States
• Hospitals and Health Care
• 700 & Above Employee

• Associate Research Fellow. Group Leader

  • Apr 1985 - Feb 2008

  Initiated, developed and estrablished SBDD at Abbott Laboratories including the formation of the IMCA consortium from its inception. Initiated, developed and estrablished SBDD at Abbott Laboratories including the formation of the IMCA consortium from its inception.



Merck Serono

• consultant

  • 2006 - 2008

  Demonstrate the use of Ligand Efficiency Indices (LEIs) to map the drug discovery effort in trajectories in efficiency planes. Demonstrate the use of Ligand Efficiency Indices (LEIs) to map the drug discovery effort in trajectories in efficiency planes.



Spanish National Cancer Research Centre (CNIO)

• Invited Speaker/Scientist

  • 2005 - 2008



Purdue University

• Postdoc-Research Associate

  • 1979 - 1985

  Solve the Structure of Southern Bean Mosaic Virus (SBMV) at 2.8 A resolution with the group of Prof. M. G. Rossmann. This was the second atomic structure of a virus. The fold turned out to be identical to the one of Tomato Bushy Stunt Virus (published about a year earlier by the group of Steve Harrison at Harvard). This result was totally unexpected. Solve the Structure of Southern Bean Mosaic Virus (SBMV) at 2.8 A resolution with the group of Prof. M. G. Rossmann. This was the second atomic structure of a virus. The fold turned out to be identical to the one of Tomato Bushy Stunt Virus (published about a year earlier by the group of Steve Harrison at Harvard). This result was totally unexpected.



Universidad de Valladolid

• Student, Teaching assistant

  • 1964 - 1969