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Biopolymers|August 1, 1991
A molecular dynamics simulation of polyalanine: an analysis of equilibrium motions and helix-coil transitionsV Daggett, P A Kollman, I D KuntzJournal of Medicinal Chemistry|December 1, 1986
Molecular mechanics simulations on covalent complexes between anthramycin and B DNAS N Rao, U C Singh, P A KollmanProceedings of the National Academy of Sciences of the United States of America|June 1, 1990
Why do A.T base pairs inhibit Z-DNA formation?L X Dang, D A Pearlman, P A KollmanJournal of the American Chemical Society|July 18, 2001
Use of MM-PBSA in reproducing the binding free energies to HIV-1 RT of TIBO derivatives and predicting the binding mode to HIV-1 RT of efavirenz by docking and MM-PBSAJ Wang, P Morin, W Wang, et al.Journal of Biomolecular Structure & Dynamics|October 1, 1993
Free energy component analysis: application to the "Z-phobicity" of A-T base pairsS B Singh, D A Pearlman, P A KollmanProceedings of the National Academy of Sciences of the United States of America|August 2, 1994
Relative binding affinities of distamycin and its analog to d(CGCAAGTTGGC).d(GCCAACTTGCG): comparison of simulation results with experimentS B Singh, D E Wemmer, P A KollmanBiochimica Et Biophysica Acta|July 16, 1982
A conformational analysis of daunomycin considering D-ring repuckerS C Brown, P A Kollman, P K WeinerProceedings of the National Academy of Sciences of the United States of America|October 1, 1985
A molecular dynamics simulation of double-helical B-DNA including counterions and waterG L Seibel, U C Singh, P A KollmanProceedings of the National Academy of Sciences of the United States of America|February 1, 1986
The nature of enzyme catalysis in trypsinS J Weiner, G L Seibel, P A KollmanCombinatorial Chemistry & High Throughput Screening|January 29, 2002
Molecular recognition by beta-cyclodextrin derivatives: FEP vs MM/PBSA studyI Beà, E Cervelló, P A Kollman, et al.Pageof 14