Computers in Chemistry

The Computers in Chemistry Division
The Kollman Symposium

American Chemical Society

In Memorium
Peter A. Kollman

Peter A. Kollman, 57, professor in the department of pharmaceutical chemistry, University of California, San Francisco, died on May 25, 2001 of cancer.

Kollman obtained a B.A. in 1966 from Grinnell College, in Iowa. He earned a Ph.D. in chemistry from Princeton University in 1970. After a year-long NATO fellowship at Cambridge University, he joined UCSF's faculty. His work merged his rigorous quantum mechanical training on small molecules with the study of the macromolecular world of proteins and nucleic acids.

One of Kollman's most important contributions was his work in the area of free energy perturbation calculations and their application to macromolecules. He was also well known for the molecular simulation package AMBER (Assisted Model Building with Energy Refinements).

Among his many honors was the ACS Award for Computers in Chemical and Pharmaceutical Research in 1995. He had nearly 500 publications to his credit. He joined the ACS in 1968.

Obituary from UCSF Today.

Memorial Publications

Biopolymers – contact Ken Dill at dill@maxwell.ucsf.edu
Journal of Computational Chemistry – contact Bill Jorgensen at william.jorgensen@yale.edu

Reviews in Computational Chemistry, volume 17, K. B. Lipkowitz and D. B. Boyd, Eds., published by Wiley-VCH, New York, 2001. Table of contents .

Memorial Symposia

University of California San Francisco / Biophysical Society Symposium Honoring Peter A. Kollman

“Molecular Simulations in Structural Biology and Drug Discovery”
UCSF Laurel Heights Conference Center
February 21-22, 2002

ACS COMP Division Symposium in Remembrance of Peter A. Kollman

ACS National Meeting, Orlando, FL April 8, 2002
W. L. Jorgensen and D. C. Spellmeyer, Organizers

Morning Session
Introduction and Tribute. - I. D. Kuntz
Growing-Up with Peter from Water Dimer to Biomolecular Simulations. W. L. Jorgensen
Radical Anions of DNA Base Pairs: A Tribute to Peter Kollman. - H. F. Schaefer III
Towards all-electron modeling of biological systems. K. M. Merz Jr.
Theory and modeling of protein-catalyzed decarboxylations. K. N. Houk

Afternoon Session
Remembrance and New Advances. L. C. Allen
Pattern recognition and massively distributed computing. G. Richards
Computer modelling of ion extraction: from host-guest complexes to liquid-liquid interfaces and microemulsions. G. Wipff
Sequence-dependent structure and flexibility of TATA elements. X. Qian, D. Strahs, T. Schlick
AMBER and its associated force fields: an update. D. A. Case

Computational Chemistry Gordon Research Conference

June 30 - July 5, 2002
Colby-Sawyer College
New London, NH

Chair: Bernard Brooks
Vice-Chair: William Swope
Sessions in remembrance of both Peter Kollman and Michael Zerner.

Dr. Terry R. Stouch, Chair of the 8th Gordon Conference in 2000, made arrangements for the Gordon Research Conferences office to administer a fund named in honor of the late Prof. Michael Zerner and the late Prof. Peter Kollman, both of whom were very important in the conferences. Tax deductible contributions to the Zerner/Kollman Lecture Fund (payable to Gordon Research Conferences) should be sent to the Gordon Research Center, University of Rhode Island, P.O. Box 984, West Kingston, RI 02892-0984, USA. The contributions should be indicated for the Zerner/Kollman Lecture Fund of the GRC on Computational Chemistry.

Further information about the fund has been published in the Journal of Molecular Graphics and Modelling, 19 (6), 617 (2001).

Biomolecular Interactions

MGMS Annual International Meeting 2002
Wills Hall, Bristol,UK, April 3rd-5th 2002
in conjunction with the British Biophysical Society

A Conference dedicated to Prof. Peter A. Kollman

Early Registrations must be received by Monday March 4th. After this deadline, the registration fee will increase by 50 GBP. The final deadline for registration is Tuesday March 19th.

Abstracts for oral or poster presentation should also be submitted by March 4th.

This conference will bring together leading experts in modelling, theoretical, informatics and experimental approaches to the study of biomolecular interactions, from both academia and industry. The interactions of small ligands with biological macromolecules will be a particular focus. The conference will be dedicated to Prof. Peter A. Kollman, in recognition of his work in the field, and his support of MGMS conferences.

The MGMS particularly wishes to encourage the participation of younger researchers. A limited number of bursaries will be available, supported by Chemical Computing Group. The deadline for submission of abstracts is March 4th 2002.

See the conference web pages for confirmed speakers and other details:

Organised by Dr. Adrian J Mulholland

Any additions or corrections to this list should be send to Web Support for the Site.