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Journal of Molecular Graphics & Modelling|August 15, 1998
Graphical visualization of mean hydration from molecular dynamics simulationsJ Pitera, P KollmanProteins|August 18, 1999
The free energies for mutating S27 and W79 to alanine in streptavidin and its biotin complex: the relative size of polar and nonpolar free energies on biotin bindingR W Dixon, P KollmanBiopolymers|February 15, 1990
Simulations of the B-DNA molecular dynamics of d(CGCGAATTCGCG)2 and d(GCGCGCGCGC)2: an analysis of the role of initial geometry and a comparison of united and all-atom modelsS N Rao, P KollmanJournal of Biomolecular NMR|May 24, 2001
Assessing the effect of conformational averaging on the measured values of observablesR Bürgi, J Pitera, W F van GunsterenJournal of Medicinal Chemistry|March 12, 1999
Prediction of the binding free energies of new TIBO-like HIV-1 reverse transcriptase inhibitors using a combination of PROFEC, PB/SA, CMC/MD, and free energy calculationsM A Eriksson, J Pitera, P A KollmanNucleic Acids Research|June 11, 1984
The structure of d(CGCGAAT[]TCGCG) . d(CGCGAATTCGCG); the incorporation of a thymine photodimer into a B-DNA helixS N Rao, J W Keepers, P KollmanProceedings of the National Academy of Sciences of the United States of America|February 1, 1985
Molecular dynamics simulations of d(C-G-C-G-A) X d(T-C-G-C-G) with and without "hydrated" counterionsU C Singh, S J Weiner, P KollmanNucleic Acids Research|December 21, 1981
A molecular mechanical study of complexes formed between 4-nitroquinoline-N-oxide and dinucleoside phosphatesT Lybrand, A Dearing, P Weiner, et al.Applied and Environmental Microbiology|March 18, 2008
Application of functional genomics to pathway optimization for increased isoprenoid productionLance Kizer, Douglas J Pitera, Brian F Pfleger, et al.The Journal of Biological Chemistry|June 25, 1991
Free energy perturbation calculations on binding and catalysis after mutating threonine 220 in subtilisinN Mizushima, D Spellmeyer, S Hirono, et al.Pageof 2