Gaussian docking functions
McGann, Mark R., Almond, Harold R., Nicholls, Anthony, Grant, J. Andrew, Brown, Frank K.
Published in Biopolymers (01.01.2003)
Published in Biopolymers (01.01.2003)
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Journal Article
Conformational analysis of the endogenous μ-opioid agonist endomorphin-1 using NMR spectroscopy and molecular modeling
Podlogar, Brent L., Paterlini, M.Germana, Ferguson, David M., Leo, Gregory C., Demeter, David A., Brown, Frank K., Reitz, Allen B.
Published in FEBS letters (13.11.1998)
Published in FEBS letters (13.11.1998)
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Journal Article
An approach to the application of free energy perturbation methods using molecular dynamics: applications to the transformations of CH3OH→CH3CH3, H3O+→NH4+, glycine→alanine, and alanine→phenylalanine in aqueous solution and to H3O+(H2O)3→NH4+(H2O)3 in the gas phase
SINGH, U. C, BROWN, F. K, BASH, P. A, KOLLMAN, P. A
Published in Journal of the American Chemical Society (18.03.1987)
Published in Journal of the American Chemical Society (18.03.1987)
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Journal Article
Transition structures of the Diels-Alder reaction of butadiene with acrolein
Loncharich, Richard J, Brown, Frank K, Houk, K. N
Published in Journal of organic chemistry (01.03.1989)
Published in Journal of organic chemistry (01.03.1989)
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Journal Article
Diels−Alder Reactions of Amino Acid-Derived Trienes
Murray, William V, Sun, Sengen, Turchi, Ignatius J, Brown, Frank K, Gauthier, A. Diane
Published in Journal of organic chemistry (06.08.1999)
Published in Journal of organic chemistry (06.08.1999)
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Journal Article
Theory and Modeling of Stereoselective Organic Reactions
Houk, Kendall N., Paddon-Row, Michael N., Rondan, Nelson G., Wu, Yun-Dong, Brown, Frank K., Spellmeyer, David C., Metz, James T., Li, Yi, Loncharich, Richard J.
Published in Science (American Association for the Advancement of Science) (07.03.1986)
Published in Science (American Association for the Advancement of Science) (07.03.1986)
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Journal Article
Evidence for the concerted mechanism of the Diels-Alder reaction of butadiene with ethylene
Houk, K. N, Lin, Yi Tsong, Brown, Frank K
Published in Journal of the American Chemical Society (01.02.1986)
Published in Journal of the American Chemical Society (01.02.1986)
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Journal Article
Isotope effects and alternative substrate reactivities for tryptophan 2,3-dioxygenase
Leeds, J.M., Brown, P.J., McGeehan, G.M., Brown, F.K., Wiseman, J.S.
Published in The Journal of biological chemistry (25.08.1993)
Published in The Journal of biological chemistry (25.08.1993)
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Journal Article
MATRIX METALLOPROTEINASE INHIBITORS CONTAINING A (CARBOXYALKYL)AMINO ZINC LIGAND - MODIFICATION OF THE P1 AND P2' RESIDUES
BROWN, FK, BROWN, PJ, BICKETT, DM, CHAMBERS, CL, DAVIES, HG, DEATON, DN, DREWRY, D, FOLEY, M, MCELROY, AB, GREGSON, M, MCGEEHAN, GM, MYERS, PL, NORTON, D, SALOVICH, JM, SCHOENEN, FJ, WARD, P
Published in Journal of medicinal chemistry (04.03.1994)
Published in Journal of medicinal chemistry (04.03.1994)
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Journal Article
Distance Dependence of Water Structure around Model Solutes
Vaisman, Iosif I, Brown, Frank K, Tropsha, Alexander
Published in Journal of physical chemistry (1952) (01.05.1994)
Published in Journal of physical chemistry (1952) (01.05.1994)
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Journal Article
Electronic origins and consequences of pyramidalization of asymmetric alkenes in ground and triplet excited states
Houk, K. N, Rondan, Nelson G, Brown, Frank K, Jorgensen, William L, Madura, Jeffry D, Spellmeyer, David C
Published in Journal of the American Chemical Society (01.09.1983)
Published in Journal of the American Chemical Society (01.09.1983)
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