h-index = 34
19'547 citations
112. W. Lehman, X. Li, F. A. Kiani, J. R. Moore,
S. G. Campbell, S. Fischer, and M. J. Rynkiewicz
Precise binding of tropomyosin on actin involves sequence-dependent
variance in coiled-coil twisting.
Biophysical J. 115, 1082-1092 (2018).
110. Tabeer Fatima, Sadaf Rani, Stefan Fischer,
Thomas Efferth, F. A. Kiani.
The hydrolysis of 6-phosphogluconolactone in the second step of
pentose phosphate pathway occurs via a two-water mechanism.
Biophysical Chemistry 240, 98-106 (2018).
109. F. A. Kiani, M. J. Rynkiewicz, S.
Fischer, W. Lehman.
Tropomyosin translocation on F-Actin revealed by Molecular Dynamics
simulations.
Biophysical J. 114(3), 136a
(2018).
108. M. J. Rynkiewicz, T. Prum, S. Hollenberg,
F. A. Kiani, P. M. Fagnant, S. B. Marston, K. M. Trybus, S. Fischer, J.
R. Moore, W. Lehman.
Tropomyosin must interact weakly with actin to effectively regulate
thin filament function.
Biophysical J. 113, 2444-2451 (2017).
107. Hammad Ali Hassan, Sadaf Rani, Tabeer Fatima,
Farooq A. Kiani, Stefan Fischer.
Effect of protonation on the mechanism of phosphate monoester
hydrolysis and comparison with the hydrolysis of nucleoside triphosphate in
biomolecular motors.
Biophysical Chemistry 230, 27-35 (2017).
106. F.A. Kiani & S. Fischer*.
Effects of protonation on the hydrolysis of triphosphate in vacuum
and the implications for catalysis by nucleotide hydrolyzing enzymes.
BMC Biochemistry 17:12, DOI
10.1186/s12858-016-0068-7 (2016).
105. F.A. Kiani & S. Fischer*.
Comparing the catalytic strategy of ATP hydrolysis in biomolecular
motors.
Phys. Chem. Chem. Phys. 18, 20219-20233 (2016).
104. M. J. Rynkiewicz, S. Fischer*, W.
Lehman.
The propensity for
tropomyosin twisting in the presence and absence of F-actin.
Archiv. of Biochem. and Biophys. 609, 51–58 (2016).
103. F.A. Kiani & S. Fischer*.
ATP-dependent Interplay between Local and Global Conformational
Changes in the Myosin Motor.
Cytoskeleton 73, 643-651, doi :10.1002/cm.21333 (2016).
102. S. Fischer*, M. J. Rynkiewicz,
Jeffrey R. Moore, W. Lehman.
Tropomyosin
diffusion over actin subunits facilitates thin filament assembly.
Structural Dynamics 3, 012002; doi: 10.1063/1.4940223 (2016).
101. M. J. Rynkiewicz, V.Schott, M. Orzechowski,
S. Fischer*, W. Lehman.
Does tropomyosin
slide or roll over F‑actin during regulatory transitions.
Biophys. J.
110, 524a (2016).
100. F. A. Kiani & S. Fischer*.
Advances in Quantum Simulations of ATPase Catalysis in the Myosin
Motor.
Current Opin. Struct. Biol. 31, 115-123 (2015).
99. M. J.
Rynkiewicz, V. Schott, M. Orzechowski, W. Lehman, S. Fischer*.
Electrostatic Interaction Map Reveals a New Binding Position for Tropomyosin
on F-actin.
J. Muscle Res. and Cell Motility 36, 525-533 (2015).
98. T. Wolter, M. Elstner, S. Fischer, J.C. Smith, A.N.
Bondar.
Mechanism by which Untwisting of Retinal Leads to Productive
Bacteriorhodopsin Photocycle States.
J. Phys. Chem. B 119, 2229-2240 (2015).
97. W.
Lehman, G. Medlock, X. E. Li, W. Suphamungmee, A.-Y. Tu, A. Schmidtmann, Z.
Ujfalusi, S. Fischer, J. R Moore, M. A Geeves, M. Regnier .
Phosphorylation of Ser283 enhances the stiffness of the tropomyosin
head-to-tail overlap domain.
Archiv. of Biochem. and Biophys. 571, 10–15 (2015).
96. M. Orzechowski, G.P. Farman, J.R. Moore, S. Fischer, W.
Lehman.
Energy Landscapes Reveal the Myopathic Effects of Tropomyosin Mutations.
Biophys. J. 108, 422a, (2015).
95. Gerrie P Farman, Marek Orzechowski, Stefan Fischer,
Lehman William, Jeffrey R Moore
Serine 61 Phosphorylation Rescues Cardiomyopathic Effects of Tropomyosin
Mutation.
Biophys. J. 108, 446a–447a, (2015).
94. F. A.
Kiani & S. Fischer*.
The catalytic
strategy used by the myosin motor to hydrolyze ATP.
Proceedings Natl. Acad. Sciences (USA) ,
DOI: 10.1073/pnas.1401862111 (2014).
93. M. Orzechowski, S. Fischer, J. R. Moore, W. Lehman
& G. P. Farman.
Energy landscapes reveal the myopathic effects of tropomyosin mutations.
Archiv. Biochem. Biophys. 564, 89-99 (2014).
92. M.
Orzechowski, X.E. Li, S. Fischer*, W. Lehman.
An Atomic Model of the
Tropomyosin Cable on F-actin.
Biophys. J. 107, 694-699 (2014).
91. X.E.
Li , M. Orzechowski, W. Lehman, S. Fischer*.
Structure and flexibility of the tropomyosin overlap junction.
Biochem. Biophys. Res.
Commun. 446,
304-308 (2014 ).
90. M.
Orzechowski, J.R. Moore, S. Fischer* & W. Lehman.
Tropomyosin movement on F-actin during muscle activation explained by
energy landscapes.
Archiv. Biochem. Biophys. 545, 63-68 (2014).
89. W.
Lehman, Xiaochuan E. Li, M. Orzechowski, S. Fischer*.
The structural
dynamics of a-tropomyosin on F-actin shape the overlap complex between adjacent
tropomyosin molecules.
Archiv. Biochem. Biophys.. 552-553, p. 68-73 (2014).
88. F. A.
Kiani & S. Fischer*.
The catalytic strategy of P–O bond cleaving enzymes: comparing EcoRV and myosin.
In "Molecular Catalysts: Structure and Functional Design",
Editors: Lutz H. Gade and Peter Hofmann. John Wiley & Sons, Inc. (2014).
87. F. A.
Kiani & S. Fischer*.
Stabilization of the ADP/metaphosphate intermediate during ATP
hydrolysis in pre-power stroke myosin: quantitative anatomy of an enzyme.
J. Biol. Chem. 288, 35569-35580 (2013).
86. Lehman, W., Orzechowski, M., Fischer, S.
and Raunser, S.
Gestalt-binding of tropomyosin on actin during thin filament activation.
J. Muscle. Res. Cell. Motil 34, 155-163 (2013).
85. Orzechowski, M., Fischer, S.* and Lehman, W.
Influence of actin mutation on the energy landscape of actin–tropomyosin
filaments.
Biophys. J. 104, 480a. (2013).
84. Q.
Sun, Z. Li, Z. Lan, C. Pfisterer, M. Doerr, S. Fischer*, S. C. Smith
& W. Thiel.
Isomerization mechanism of the HcRed fluorescent protein chromophore.
Phys. Chem. Chem. Phys. 14, 11413–11424 (2012).
83. Li
XE, Suphamungmee W, Janco M, Geeves MA, Marston SB, Fischer S, Lehman W.
The flexibility of two tropomyosin mutants, D175N and E180G, that
cause hypertrophic cardiomyopathy.
Biochem. Biophys. Res.
Commun. 424(3),
493-6 (2012 ).
82. Li XE, Lehman W, Fischer S*.
Geometry of the C-/N-Terminal Connection of Tropomyosin on F-Actin Based on
Molecular Dynamics Simulations of the Thin Filament.
Biophys. J. 102(3), p.
155a (2012 ).
81. M.
Orzechowski, S. Raunser, S. Fischer*, W. Lehman.
Tropomyosin Movement on F-actin Analyzed by Energy Landscape
Determination.
Biophysical J. 102(3), p. 17a (2012).
80. S.
Kühner & S. Fischer*.
Structural mechanism of the ATP‑induced dissociation of rigor
myosin from actin.
Proceedings Natl. Acad. Sciences USA 108, 7793-7798 (2011).
79. S. Fischer*, K.W. Olsen, K. Nam, M. Karplus.
The Unsuspected Pathway of the Allosteric Transition in Hemoglobin.
Proceedings Natl. Acad. Sciences USA 108, 5608-5613 (2011).
78. J.
R. Moore, X. E. Li, J. Nirody, S. Fischer*, W. Lehman.
Structural implications of conserved aspartate residues located in
tropomyosin's coiled-coil core.
BioArchitecture 1:5, 250-255 (2011).
77. A.-N.
Bondar, M. Knapp-Mohammady, S. Suhai, S. Fischer, J. C. Smith
Ground-state properties of the retinal molecule: from quantum mechanical to
classical mechanical computations of retinal proteins.
Theor Chem Acc 130, 1169-1183 (2011).
76. X.
Li, L. S. Tobacman, J. Y. Mun, R. Craig, S. Fischer, W. Lehman.
Tropomyosin Position on F-Actin Revealed by EM Reconstruction and
Computational Chemistry.
Biophysical J. 100, 1005-1013 (2011).
75. A.-N. Bondar, S. Fischer, J.C. Smith.
Water Pathways in the Bacteriorhodopsin Proton Pump.
J. Membrane Biol. 239, 73-84 (2011).
74. M.
Orzechowski, S. Fischer*, W. Lehman.
Structural Simulations of Troponin-Regulated Tropomyosin Movement on
F-Actin.
Biophysical J. 100(3), p. 586a-587a (2011).
73. X. E.
Li, S. Fischer*, W. Lehman.
Molecular Dynamics of Tropomyosin Bound to F-Actin.
Biophysical J. 100(3), p. 587a, (2011).
72. X.
E. Li, L. S. Tobacman, J. Young Mun, R. Craig, S. Fischer*, W. Lehman.
Atomic Model of F-Actin-Tropomyosin.
Biophysical J. 100(3), p. 586a (2011).
71. X. Li, K.C. Holmes, W. Lehman, H. Jung, S. Fischer*
The shape and flexibility of tropomyosin coiled-coils: implication for actin
filament assembly and regulation.
J. Mol. Biol. 395, 327-339 (2010).
70. X.
Li, W. Lehman, S. Fischer*.
The relationship between curvature, flexibility and persistence
length in the tropomyosin coiled-coil.
J. Structural Biol. 170, 313-318 (2010).
69. Q.
Sun, S. Wang, H. Zhang, Z. Li, C. Pifisterer, S. Fischer, S. Nanbu, S.
C. Smith.
Structural and Relaxation Effects in Proton Wire Energetics: Model
Studies of the Green Fluorescent Protein Photocycle.
Austral. J. Chem. 63, 363-370 (2010).
68. X.
Li, W. Lehman, S. Fischer, K. C. Holmes.
Curvature variation along the tropomyosin molecule.
J. Structural Biol. 170, 307-312 (2010).
67. C. Pfisterer, A. Gruia, S. Fischer*
The mechanism of photo-energy storage in the halorhodopsin chloride pump.
J. Biol. Chem. 284, 13562-13569 (2009).
66. P. Imhof, S. Fischer*, J.C. Smith
Catalytic mechanism of DNA backbone cleavage by the restriction enzyme
EcoRV: a quantum mechanical/molecular mechanical analysis.
Biochemistry 48, 9061-9075 (2009).
65. B.R.Brooks, S. Fischer,
et al.
CHARMM: The biomolecular simulation program.
J. Comp. Chem. 30,
1545-1614 (2009).
64. Jasmine Nirody, Xiaochuan Li, Duncan Sousa,
John Sumida, Stefan Fischer*, Sherwin S. Lehrer, William Lehman.
Electron Microscopy and Molecular Dynamics on a D137L Mutant of
Tropomyosin.
Biophysical J. 98(3), p. 414a (2009).
63. Xiaochuan Li, William Lehman, Kenneth C.
Holmes, Stefan Fischer*.
Molecular Dynamics of Tropomyosin: Implications for the Assembly and
Regulation of Thin Filaments.
Biophysical J. 96(3), p. 201a (2009).
62. A.N. Bondar, J. Baudry, S. Suhai, S. Fischer, J.C.
Smith.
Key role of water molecules in bacteriorhodopsin proton transfer reactions.
J. Phys. Chem. B 112, 14729-14741 (2008).
61. F. Noe & S.
Fischer*
Transition networks for modeling the kinetics of conformational change in
macromolecules.
Current Opinion in Struct. Biol. 18, 154-162 (2008).
60. M. Gyimesi, B. Kintses, A. Bodor, A. Perczel, S. Fischer,
C.R. Bagshaw & A. Malnasi-Csizmadia.
The mechanism of the reverse recovery-step, phosphate release and actin
activation of dictyostelium myosin II.
J. Biol. Chem. 283, 8153-8163 (2008).
59. S. Koppole, J.C. Smith & S. Fischer*
The structural coupling between ATPase activation and recovery-stroke in the
Myosin II motor.
Structure 15, 825-837 (2007).
58. S. Mesentean, S. Koppole, J.C. Smith & S. Fischer*
The principal motions involved in the coupling mechanism of the recovery
stroke of the myosin motor.
J. Mol. Biol. 367, 591-602 (2007).
57. R. Friedman, S. Fischer, E. Nachliel, S. Scheiner &
M. Gutman
Minimum energy pathways for proton-transfer between adjacent sites exposed
to water.
J. Phys. Chem. B 111, 6059-6070 (2007).
56. A.N. Bondar, S. Suhai, S. Fischer, J.C. Smith &
M. Elstner.
Suppression of the proton-transfer from Asp85 to the retinal Schiff base in
bacteriorhodopsin: a theoretical analysis of structural elements.
J. Struct. Biol. 157, 454-469 (2007).
55. F.
Kiani, S. Schwarzl, S. Fischer & T. Efferth.
Three-dimensional modeling of glucose-6-phosphate
dehydrogenase-deficient variants from German ancestry.
PLoS ONE 2(7), e625 (2007).
54. S. Koppole, J.C. Smith & S. Fischer*.
Simulations of the myosin II motor reveal a nucleotide-state sensing element
that controls the recovery stroke.
J. Mol. Biol. 361, 604-616 (2006).
53. S.M.
Schwarzl, J.C. Smith & S. Fischer*.
Insights into the chemomechanical coupling of the myosin motor from
simulation of its ATPase mechanism.
Biochemistry 45, 5830-5847 (2006).
52. S. Mesentean, J.C. Smith & S. Fischer*.
Analyzing large-scale structural change in proteins: comparison of principal
component projection and Sammon mapping.
Proteins 64, 210-218 (2006).
51. F.
Noe, D. Krachtus, J.C. Smith & S. Fischer*.
Transition networks for the comprehensive characterization of complex
conformational change in proteins.
J. Chem. Theory & Comp. 2, 840-857 (2006).
50. A.N. Bondar, J.C. Smith & S. Fischer*.
Structural and energetic determinants of primary proton transfer in
bacteriorhodopsin.
Photochem. Photobiol. Sciences 5, 547-552 (2006).
49. P. Imhof, F. Noe, S. Fischer & J.C. Smith.
AM1/d parameters for Magnesium in Metalloenzymes.
J. Chem. Theory & Comp. 2, 1050-1056 (2006).
48. F.
Noe, M. Oswald, G. Reinelt, S. Fischer* & J.C. Smith.
Computing best transition pathways in high-dimensional dynamical
systems: application to the aL → b → aR transition in octaalanine.
J. Multiscale Modeling & Simulation 5, 393-419 (2006).
47. L. Walewski, D. Krachtus, S.
Fischer, J.C. Smith, P. Bala & B. Lesyng.
SCC-DFTB Energy
Barriers for Single and Double Proton Transfer Processes in the Model Molecular
Systems Malonaldehyde and Porphycene.
Int. J. Quant. Chem. 106, 636-640 (2006).
46. J.C. Smith, T. Becker, S.
Fischer, F. Noe, A.L. Tournier, G.M. Ullmann & V. Kurkal.
Physical
and functional aspects of protein dynamics.
Soft Condensed
Matter Physics in Molecular and Cell Biology, 225-241, ed. Poon & Andelman,
Taylor&Francis (2006).
45. S. Fischer*, B.
Windshuegel, D. Horak, K.C. Holmes & J.C. Smith.
Structural mechanism of the recovery stroke in the Myosin molecular motor.
Proceedings Natl.
Acad. Sciences USA 102, 6873-6878 (2005).
44. F. Noe, F. Ille, J.C. Smith & S. Fischer*.
Automated computation of low-energy pathways for complex rearrangements in
proteins: Application to the conformational switch of Ras p21.
Proteins 59, 534-544 (2005).
43. A.D. Gruia, A.N. Bondar, J.C. Smith & S. Fischer*.
Mechanism of a molecular valve in the halorhodopsin chloride pump.
Structure 13, 617-627 (2005).
42. S.M. Schwarzl, D. Huang, J.C. Smith & S. Fischer*.
Non-Uniform Charge Scaling (NUCS): a practical approximation of solvent
electrostatic screening in proteins.
J. Comput. Chem. 26, 1359-1371 (2005).
41. F.
Gräter, S.M. Schwarzl, A. Dejaegere, S. Fischer* & J.C. Smith.
Protein/Ligand Binding Free Energies Calculated With Quantum
Mechanics/Molecular Mechanics.
J. Phys. Chem. B 109, 10474-10483 (2005).
40. A.N. Bondar, S. Fischer*, S. Suhai & J.C. Smith.
Tuning of retinal twisting in bacteriorhodopsin controls the directionality
of the early photocycle steps.
J. Phys. Chem. B 109, 14786-14788 (2005).
39. A.N. Bondar, J.C. Smith & S. Fischer*.
QM/MM investigation of the hydrogen-bonding interactions in the putative K
and early‑M intermediates of the bacteriorhodopsin photocycle.
Phase Transitions 78, 671-675 (2005).
38. C.S. Verma & S. Fischer.
Protein stability & ligand binding: new paradigms from in-silico
experiments.
Biophys. Chem. 115, 295-302 (2005).
37. P. Imhof, S. Fischer*, R. Kraemer & J.C. Smith.
Density Functional Theory analysis of Dimethylphosphate hydrolysis: effect
of solvation and nucleophile variation.
Journal of Molecular Structure: THEOCHEM 713, 1-5 (2005).
36. A.N. Bondar, M. Elstner, S. Suhai, S. Fischer* &
J.C. Smith.
Direct proton transfer in a putative L-state intermediate of the
bacteriorhodopsin photocycle.
Phase Transitions 78, 5-9 (2005).
35. A.N. Bondar, M. Elstner, S.
Suhai, J.C. Smith & S. Fischer*.
Mechanism of primary proton transfer in bacteriorhodopsin.
Structure 12,
1281-1288 (2004).
34. A.N. Bondar, S. Fischer, J.C. Smith, M. Elstner &
S. Suhai.
The key role of electrostatic interactions in bacteriorhodopsin proton
transfer.
J. Am. Chem. Soc. 126, 14668-14677 (2004).
33. J.C. Smith, F. Merzel, A.N. Bondar, A. Tournier & S.
Fischer.
Structure, dynamics and reactions of protein hydration water.
Phil. Trans. Royal Soc. Lond. B 359, 1181-1190 (2004).
32. A.D. Gruia, S. Fischer* & J.C. Smith.
Kinetics of
breaking a salt-bridge critical in protein unfolding .
Chem. Phys.
Letters
385, 337-340 (2004).
31. N. Bondar, M. Elstner, S.
Fischer*, J.C. Smith & S. Suhai.
Can coordinate driving describe proton transfer coupled to complex protein
motions?
Phase Transitions 77,
47-52 (2004). abstract
30. S. M. Schwarzl, S. Fischer* &
J.C. Smith.
Solvent electrostatic screening in protein simulations.
In "Bioinformatics of Genome Regulation and Structure", p.
179-184, Editors: N. Kolchanov &
R. Hofestaedt. Springer US. (2004).
29. F. Noe, S.M. Schwarzl, S. Fischer and J.C. Smith.
Computational
tools for analyzing structural changes in proteins in solution.
Applied
Bioinformatics 2, s11-s17 (2003).
28. T. Becker, S. Fischer,
F. Noe, A. Tournier, M. Ullmann & J.C. Smith.
Protein dynamics: Glass transition and mechanical function.
Advances in Solid State Physics 43, 677-694 (2003).
27. S.M. Schwarzl, D. Huang, J.C.
Smith & S. Fischer*.
How well does charge reparameterization account for solvent screening
in molecular mechanics calculations? The example of myosin.
In Silico Biol.
3, 187-196 (2003).
26. A.D. Gruia, S. Fischer* & J.C. Smith.
Molecular
dynamics simulation reveals a surface salt-bridge forming a kinetic trap
in unfolding of truncated staphylococcal nuclease.
Proteins 50, 507-515
(2003). abstract
25. R. Dutzler, T. Schirmer, M.
Karplus & S. Fischer*.
Translocation
mechanism of long sugar chains across the maltoporin membrane channel.
Structure 10, 1273-1284
(2002). abstract
24. J.C. Smith, F. Merzel, C.S.
Verma and S. Fischer.
Protein hydration
water: structure and thermodynamics.
Journal of
Molecular Liquids 101/1-3, 27-33 (2002).
23. S.M. Schwarzl, T.B. Tschopp,
J.C. Smith & S. Fischer*.
Can the
calculation of ligand binding free energies be improved with continuum solvent
electrostatics and an ideal-gas entropy correction ?
J. Comput. Chem. 23, 1143-1149
(2002). abstract
22. A.L. Tournier, D. Huang, S.M.
Schwarzl, S. Fischer & J.C. Smith.
Time-resolved
computational protein biochemistry: Solvent effects on interactions,
conformational transitions and equilibrium fluctuations.
Faraday Discuss. 122, 243-251 (2002).
21. A.D. Gruia, S. Fischer
& J.C. Smith.
Computer
Simulation of Protein Unfolding.
High Performance
Computing in Science and Engineering'01, 260-268, ed. Krause
& Jaeger, Springer (2002).
20. S. Fischer*, J. Smith
& C. Verma.
Dissecting
the vibrational entropy change on protein/ligand binding : burial of a
water molecule in bovine pancreatic trypsin inhibitor.
J. Phys. Chem. B 105, 8050-8055
(2001). abstract
19. N. Bondar, R. Daniel, J.L.
Finney, S. Fischer, M. Kataoka, A. Petrescu & J. Smith.
Protein folding
and dynamics - new insights from computer simulation and scattering
experiments.
J. Phys. Soc.
Japan 70,
Suppl.A pp. 392-395 (2001).
18. J. Sopkova, S. Fischer,
C. Guilbert, A. Lewit-Bentley & J.C. Smith.
Pathway for large-scale
conformational change in annexin V.
Biochemistry
39, 14065-14074, (2000). abstract
17. K. Olsen, S. Fischer*
& M. Karplus.
A
continuous path for the T®R allosteric transition of hemoglobin.
Biophysical J. 78, 394A (2000). abstract
16. S. Fischer*
& C. Verma.
Binding of
buried structural water increases the flexibility of proteins.
Proceedings Natl.
Acad. Sciences USA 96, 9613-9615 (1999). abstract
15. Blondel, J-P. Renaud, S.
Fischer, D. Moras & M. Karplus.
Retinoic
acid receptor: a simulation analysis of retinoic acid binding and resulting
conformational conformational changes.
J. Mol. Biol. 291, 101-115 (1999). abstract
14. M. Hennig, G.E. Dale, A.
D'arcy, F. Danel, S. Fischer, C.P. Gray, S. Jolidon, F. Muller, M.G.
Page, P. Pattison, C. Oefner.
The structure and
function of 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase from
Haemophilus influenziae.
J. Mol. Biol. 287, 211-219 (1999). abstract
13. A.D. MacKerell, S. Fischer
et al.
All-atom
empirical potential for molecular modeling and dynamics studies of proteins.
J. Phys. Chem. B
102, 3586-3616 (1998). abstract
12. S. Fischer.
A take-off
technique for strong wind conditions.
Parapente Mag 59, p. 3 (1998).
11. H.J. Böhm & S. Fischer.
De novo ligand design.
Encyclopedia of
Computational Chemistry, John Wiley & Sons, New York (1998).
10. S. Fischer*,
C. S. Verma & R.E. Hubbard.
Rotation
of structural water inside a protein : calculation of the rate and vibrational
entropy of activation.
J. Phys. Chem. B 102,
1797-1805 (1998). abstract
9. Caflisch,
S. Fischer & M. Karplus.
Docking by
Monte-Carlo Minimization with a Solvation Correction: Application to an
FKBP-substrate complex.
J. Comput. Chem. 18, 723-743 (1997). abstract
8. E. Neria, S. Fischer
& M. Karplus.
Simulation
of activation free energies in molecular systems.
J. Chem. Physics 105, 1902-1921
(1996). abstract
7. C. S. Verma, S.
Fischer*, L. Caves, G.C.K. Roberts & R.E. Hubbard.
Calculation of
the reaction pathway for the aromatic ring-flip in methotrexate complexed to
dihydrofolate reductase.
J. Phys. Chemistry 100, 2510-2518
(1996). abstract
6. S. Fischer, P.D.J.
Grootenhuis, L.C. Groenen, W.P. vanHoorn, F.C.J.M. vanVeggel, D.N. Reinhoudt
& M. Karplus.
Pathways for
conformational interconversion of calix[4]arenes.
J. Am. Chem. Soc. 117,
1611-1620 (1995). abstract
5. S. Fischer, R.
Dunbrack & M. Karplus.
Cis-trans
imide isomerization in the proline dipeptide.
J. Am. Chem. Soc. 116,
11931-11937 (1994). abstract
4. S. Fischer, S.
Michnick & M. Karplus.
A
mechanism for rotamase catalysis by the FK506 binding protein (FKBP).
Biochemistry 32, 13830-13837 (1993).
3. S. Fischer &
M. Karplus.
Conjugate
Peak Refinement : an algorithm for finding reaction paths and accurate
transition states in systems with many degrees of freedom.
Chemical Physics
Letters
194, 252-261 (1992). abstract
2. S. Fischer.
Curvilinear
reaction-coordinates of conformational change in macromolecules: application to
rotamase catalysis. Ph.D. thesis, Harvard
University.
University
Microfilms Inc., Ann Arbor (1992).
1. S. Fischer.
Trajectory Refinement Algorithms (TRAvel) code and documentation,
distributed with the program CHARMM, © Harvard University (1991).
Go to home of Stefan
Fischer