Wibke Sudholt, Kim K. Baldridge, David Abramson, Colin
Enticott, Slavisa Garic. Parameter Scan of an Effective Group
Difference Pseudopotential Using Grid Computing, New Generation
Computing (2004)
22, 137-146.
W. Sudholt, K. K. Baldridge, D. Abramson, C. Enticott,
S. Garic. Applying grid computing to the parameter sweep of a group
difference pseudopotential. In Computational Science - ICCS 2004:
4th International Conference, Krakow, Poland, June 6-9, 2004,
Proceedings, Part I, M. Bubak, G. D. van Albada, P. M. A. Sloot,
J. J. Dongarra (Eds.), Springer-Verlag Heidelberg 2004, Lecture
Notes in Computer Science 3036
(2004) 148-155
George Kleinhans, Max M. Hansmann, Gregorio Guisado-Barrios,
David C. Liles, Guy Bertrand, Daniela
I. Bezuidenhout. Nucleophilic T‑Shaped (LXL)Au(I)-Pincer Complexes:
Protonation andAlkylation. J. Am. Chem. Soc. 2016,
138, 15873–15876.
Max M. Hansmann, Rodolphe Jazzar, Guy Bertrand. Singlet
(Phosphino)phosphinidenes are
Electrophilic. J. Am. Chem. Soc. 2016,
138, 8356–8359.
Dominik Munz, Jiaxiang Chu, Mohand Melaimi, Guy
Bertrand. NHC-CAAC Heterodimers with Three Stable Oxidation
States. Angew. Chem. Int. Ed. 2016,
55, 12886–12890.
Eder Tomás-Mendivil, Max M. Hansmann, Cory M. Weinstein,
Rodolphe Jazzar, Mohand Melaimi, Guy Bertrand. Bicyclic
(Alkyl)(amino)carbenes (BICAACs): Stable Carbenes MoreAmbiphilic
than CAACs. J. Am. Chem. Soc. 2017,
139, 7753–7756.
Max M. Hansmann, Mohand Melaimi, Guy Bertrand. Crystalline
Monomeric Allenyl/Propargyl Radical. J. Am. Chem. Soc. 2017, 139,
15620–15623.
Cory M. Weinstein, Glen P. Junor, Daniel R. Tolentino, Rodolphe
Jazzar, Mohand Melaimi, and Guy Bertrand. Highly Ambiphilic Room
Temperature Stable Six-Membered Cyclic
(Alkyl)(amino)carbenes. J. Am. Chem. Soc. 2018,
140, 9255-9260.
Ryo Nakano, Rodolphe Jazzar, Guy Bertrand. A crystalline
monosubstituted carbene. Nat. Chem. 2018,
10, 1196-1200.
Max M. Hansmann, Mohand Melaimi, Dominik Munz, Guy
Bertrand. Modular Approach to Kekulé Diradicaloids Derived from
Cyclic (Alkyl)(amino)carbenes. J. Am. Chem. Soc. 2018, 140,
2546-2554.
Max M. Hansmann, Mohand Melaimi, Guy Bertrand. Organic Mixed
Valence Compounds Derived from Cyclic
(Alkyl)(amino)carbenes. J. Am. Chem. Soc. 2018,
140, 2206-2213.
Glen Junor, Erik Romero, Xi Chen, Rodolphe Jazzar, Guy
Bertrand. Readily Available Primary Aminoboranes as Powerful
Reagents for Aldimine Synthesis. Angew. Chem. Int. Ed. 2019, 58,
2875, and
Angew. Chem. 2019,
131, 2901.
Glen P. Junor, Jan Lorkowski, Cory M. Weinstein, Rodolphe
Jazzar, Cezary Pietraszuk, Guy Bertrand. The Influence of
C(sp3)H–Selenium Interactions on the 77Se NMR Quantification of the
π‐Accepting Properties of Carbenes. Angew. Chem. Int. Ed. 2020, 59,
22028-22033.
Jesse L. Peltier, Michele Soleilhavoup, David Martin, Rodolphe
Jazzar, Guy Bertrand. Absolute Templating of M(111) Cluster
Surrogates by Galvanic Exchange. J. Am. Chem. Soc. 2020, 142,
16479–16485.
Sima Yazdani, Glen P. Junor, Jesse Lawrence Peltier, Milan
Gembicky, Rodolphe Jazzar, Douglas B. Grotjahn, Guy
Bertrand. Influence of Carbene and Phosphine Ligands on the
Catalytic Activity of Gold Complexes in the Hydroamination and
Hydrohydrazination of Alkynes. ACS Catalysis 2020,
10, 5190-5201.
J. Lorkowski, P. Yorkgitis, M. R. Serrato, M. Gembicky,
C. Pietraszuk, G. Bertrand, R. Jazzar. Genuine carbene versus
carbene-like reactivity. Angew. Chem. Int. Ed. 2024,
63, e202401020.
H. Seo, K. E. Prosser, M. Kalaj, J. Karges, B. L. Dick,
S. M. Cohen, Evaluating Metal-Ligand Interactions of Metal-Binding
Isosteres Using Model Complexes, Inorg. Chem. 2021, 60,
17161-17172.
J. Karges, R. W. Stokes, S. M. Cohen, Photorelease of a
Metal-Binding Pharmacophore from a Ru(II) Polypyridine Complex,
Dalton Trans. 2021,
50, 2757-2665.
Rodriguez J. C., Jennings P. A. amd Melacini G. Effect of
Chemical Exchange on Radiation Damping in Aqueous Solutions of the
Osmolyte
Glycine. J. Amer. Chem. Soc. 124, 6240-6241
(2002).
Hamuro, Y., Wong, L., Shaffer, J., Kim, J.S., Stranz, D.D.,
Jennings, P.A., Woods, V.L. Jr., and Adams, J.A. Phosphorylation
driven motions in the COOH-terminal Src kinase, CSK, revealed
through enhanced hydrogen-deuterium exchange and mass spectrometry
(DXMS). J Mol Biol
323(5): 871-81
(2002).
Roy, M and Jennings, P. A. Real-time NMR kinetic studies
provide global and residue-specific information on the
non-cooperative unfolding of the beta-trefoil protein,
interleukin-1beta. J Mol Biol,
328(3), 693-703
(2003).
Fayos, R., Melacini, G., Newlon, M. G., Burns, L., Scott,
J. D., and Jennings, P. A. Induction of Flexibility through
Protein-Protein Interactions. J Biol Chem, 278
(20), 18581-7 (2003).
Wong, L., Jennings, P.A., and Adams, J.A. (2004). Communication
Pathways between the Nucleotide Pocket and Distal Regulatory Sites
in Protein Kinases. Acc Chem Res
37, 304-311.
Jiang, T., Olson, E. S., Nguyen, Q. T., Roy, M., Jennings,
P. A. & Tsien, R. Y. (2004). Tumor imaging by means of proteolytic
activation of cell-penetrating peptides. Proc Natl Acad Sci USA
101, 17867-72.
Rodriguez, J. C., Jennings, P. A. & Melacini, G. (2004). Using
chemical exchange to assign non-covalent protein complexes in slow
exchange with the free state: Enhanced resolution and efficient
signal editing. J Biomol NMR
30, 155-61.
Roy, M., Chavez, L. L., Finke, J. M., Heidary, D. K., Onuchic,
J. N. & Jennings, P. A. (2005). The native energy landscape for
Interleukin-1ß. Modulation of the population ensemble through
native-state topology. J Mol Biol 348
(2) 335-347.
Wong, L., Lieser, S., Chie-Leon, B., Miyashita, O., Aubol, B.,
Shaffer, J., Onuchic, J. N., Jennings, P. A., Woods, V. L., Jr., &
Adams, J. A. (2004) Dynamic coupling between the SH2 domain and
active site of the COOH terminal Src kinase, Csk. J Mol Biol 341,
93-106.
Andrews BT, Gosavi S, Finke JM, Onuchic JN, Jennings PA. (2008)
The dual-basin landscape in GF P folding. PNAS
105, 12283-8.
F. N. Stappen, K. Enemark-Rasmussen, G. P. Junor, M. H.
Clausen, J. Zhang, C. Engelbrekt. Implications of Byproduct
Chemistry in Nanoparticle Synthesis. J. Phys. Chem. C. 2019 , 123,
25402-25411.
Baker, N.A., D. Sept, S. Joseph, M.J. Holst,
J.A. McCammon. Electrostatics of Nanosystems: Application to
Microtubules and the Ribosome. Proc. Natl. Acad. Sci. USA 98,
10037-10041
(2001).
Tai, K., T. Shen, U. Borjesson, M. Philippopoulos,
J.A. McCammon. Analysis of a Ten-nanosecond Molecular Dynamics
Simulation of Mouse Acetylcholinesterase. Biophys. J. 81,
715-724
(2001).
Sept, D., J.A. McCammon. Thermodynamics and Kinetics of Actin
Filament Nucleation. Biophys. J. 81,
667-674
(2001).
Ni, H., C.A. Sotriffer, J.A. McCammon. Ordered Water and Ligand
Mobility in the HIV-1 Integrase - 5CITEP Complex: A Molecular
Dynamics Study. J. Med.
Chem. 44, 3043-3047
(2001).
Ma, C., N.A. Baker, S. Joseph, J.A. McCammon. Binding of
Aminoglycoside Antibiotics to the Small Ribosomal Subunit: A
Continuum Electrostatics Investigation. J. Amer. Chem. Soc. 124,
1438-1442 (2002)
Shen, T., K. Tai, R.H. Henchman, J.A. McCammon. Molecular
Dynamics of Acetylcholinesterase. Acc. Chem. Res. 2002, 35,
332-340.
N. A. Baker, J. A. McCammon. Electrostatic Interactions. In
Structural Bioinformatics, H. Weissig and P. E. Bourne, eds. John
Wiley and Sons: New York.
Chapter 21
2005.
N. Baker, K. Tai, R. Henchman, D. Sept, A. Elcock, M. Holst, J.
A. McCammon Mathematics and Molecular Neurobiology. In Proceedings
of the 3rd International Workshop on Methods for Macromolecular
Modeling, New York City, October 12-14, 2000. New York:
Springer-Verlag. Vol
24.
N. A. Baker, D. Sept, M. J. Holst, and J. Andrew McCammon. The
adaptive multilevel finite element solution of the Poisson-Boltzmann
equation on massively parallel computers. IBM Journal of Research
and Development. 45,
427-438, 2001.
J.-H. Lin, N. A. Baker, J. A. McCammon. Bridging implicit and
explicit solvent approaches for membrane electrostatics,
Biophys. J. 83(3), 2002
1374-1379.
Kaihsu Tai, Tongye Shen, Richard H. Henchman, Yves Bourne,
Pascale Marchot, J. Andrew McCammon. Mechanism of
acetylcholinesterase inhibition by fasciculin: a 5-ns molecular
dynamics simulation. J. Am. Chem. Soc. 2002,
124, 6153-6161.
Lin, J.H., A. Perryman, J. Schames, J.A. McCammon.
Computational Drug Design Accommodating Receptor Flexibility - The
Relaxed Complex Scheme. J. Amer. Chem. Soc. 124,
5632-5633 (2002).
Karplus, M., J.A. McCammon. Molecular Dynamics Simulations of
Macromolecules: A Perspective. Nature Struct. Biol. 9,
646-652 (2002).
Shen, T., L.S. Canino, J.A. McCammon. Unfolding Proteins under
External Forces: A Solvable Model under the Self-consistent Pair
Contact Probability Approximation. Phys. Rev. Letts. 89,
068103
(2002).
Kua, J., Y. Zhang, J.A. McCammon. Studying Enzyme Binding
Specificity in Acetylcholinesterase using a Combined Molecular
Dynamics and Multiple Docking Approach. J. Amer. Chem. Soc. 124
(28), 8260-8267(2002).
Lin, J.H., A. Perryman, J. Schames, J.A. McCammon. The Relaxed
Complex Method: Accomodating Receptor Flexibility for Drug Design
with an Improved Scoring Scheme. Biopolymers 68,
47-62 (Kollman
memorial issue, 2002).
Podtelezhnikov, A.A., K. Gao, F.D. Bushman, J.A. McCammon.
Modelling HIV-1 Integrase Complexes Based on their Hydrodynamic
Properties. Biopolymers 68,
110-120(Kollman
memorial issue, 2002).
Alexander L. Perryman and J. Andrew McCammon. AutoDocking
Dinucleotides to the HIV-1 Integrase Core Domain: Exploring Possible
Binding Sites for Viral and Genomic
DNA. J. Med. Chem. 45, 5624-5627
(2002).
Wong, C.F., J.A. McCammon. Protein Flexibility and
Computer-aided Drug Design. Annu. Rev. Pharmacol. Toxicol. 43,
31-45
(2003).
Nielsen, J.E., J.A. McCammon. On the Evaluation and
Optimisation of Protein X-ray Structures for pKa Calculations.
Protein Sci. 12,
313-326 (2003).
Zhang, Y., J.A. McCammon. Studying the Affinity and Kinetics
of Molecular Association with Molecular Dynamics Simulation.
J. Chem. Phys. 118, 1821-1827
(2003).
Wong, C.F., J.A. McCammon. Protein Simulation and Drug Design.
Adv. Protein Chem. 66,
87-121
(2003).
Morikis, D., A.H. Elcock, P.A. Jennings, J.A. McCammon. The pH
Dependence of Stability of the Activation Helix and the Catalytic
Site of GART. Biophys. Chem. 105,
279-291
(2003).
Shen, T., C.F. Wong, J.A. McCammon. Brownian Dynamics
Simulation of Helix-capping Motifs. Biopolymers
70, 252-259 (2003).
Toendel, K., C.F. Wong, J.A. McCammon. Computational Analysis
of the Interactions between the Angiogenesis Inhibitor PD173074 and
Fibroblast Growth Factor Receptor 1. J. Theor. Comp. Chem. 2,
43-56
(2003).
Tai, K., S.D. Bond, H.R. MacMillan, N.A. Baker, M.J. Holst,
J.A. McCammon. Finite Element Simulations of Acetylcholine
Diffusion in Neuromuscular Junctions. Biophys. J. 84,
2234-2241
(2003).
Zhang, Y., J. Kua, J.A. McCammon. Influence of Structural
Fluctuation on Enzyme Reaction Energy Barriers in Combined Quantum
Mechanical/Molecular Mechanical Studies. J. Phys. Chem. B
107, 4459-4463
(2003).
Sims, P.A., C.F. Wong, J.A. McCammon. A Computational Model of
Binding Thermodynamics: The Design of Cyclin-dependent Kinase 2
Inhibitors. J. Med. Chem. 26,
3314-3325 (2003).
Shi, J., K. Tai, J.A. McCammon, P. Taylor, D.A. Johnson.
Nanosecond Dynamics of the Mouse Acetylcholinesterase Cys69-Cys96
Omega Loop. J. Biol. Chem. 278,
30905-30911
(2003).
Puerta, D.T., J.R. Schames, R.H. Henchman, J.A. McCammon,
S.M.Cohen. From Model Complexes to Metalloprotein Inhibition: A
Synergistic Approach to Structure-based Drug Discovery. Angew.
Chem. 42, 3772-3774
(2003).
Nielsen, J.E., J.A. McCammon. Calculating pKa values in enzyme
active sites. Protein Sci. 12,
1894-1901 (2003).
Cerutti, D., C.F. Wong, J.A. McCammon. Brownian Dynamics
Simulations of Ion Atmospheres around Polyalanine and B-DNA: Effects
of Biomolecular Dielectric. Biopolymers 70,
391-402 (2003).
Sept, D., N.A. Baker, J.A. McCammon. The Physical Basis of
Microtubule Structure and Stability. Protein Science 12,
2257-2261 (2003).
Bui, J., R.H. Henchman, J.A. McCammon. The Dynamics of Ligand
Barrier Crossing inside the Acetylcholinesterase Gorge. Biophys. J. 85,
2267-2272
(2003).
Henchman, R.H., H.L.Wang, S.M. Sine, P. Taylor,
J.A. McCammon. Asymmetric structural motions of the homomeric alpha7
nicotinic receptor ligand binding domain revealed by molecular
dynamics simulation. Biophys. J. 85,
3007-3018
(2003).
Kua, J., Y. Zhang, A.C. Eslami, J.R. Butler,
J.A. McCammon. Studying the Roles of W86, E202, Y337 in Binding of
Acetylcholine to Acetylcholinesterase using a Combined Molecular
Dynamics and Multiple Docking Approach. Protein Sci. 12,
2675-2684 (2003).
R. H. Henchman. Partition function for a simple liquid using
cell theory parametrized by computer simulation. J. Chem. Phys.
119, 400-406 (2003).
Vitalis, A., N.A. Baker, J.A. McCammon. ISIM: A Program for
Grand Canonical Monte Carlo Simulations of the Ionic Environment of
Biomolecules, Mol. Simul. 30,
45-61
(2004).
Swanson, J.M.J., R.H. Henchman, J.A. McCammon. Revisiting Free
Energy Calculations: A Theoretical Connection to MM/PBSA and Direct
Calculation of the Association Free Energy. Biophys. J. 86,
67-74
(2004).
Trylska, J., P. Grochowski, J.A. McCammon. The role of hydrogen
bonding in the enzymatic reaction catalyzed by HIV-1 protease.
Protein Sci. 13,
513-528 (2004).
Song,Y., Y. Zhang, T. Shen, C.L. Bajaj, J.A. McCammon,
N.A. Baker. Finite element solution of the steady-state
Smoluchowski equation for rate constant calculations. Biophys. J. 86,
2017-2029
(2004).
Trylska, J., R. Konecny, F. Tama, C.L.Brooks,
J.A. McCammon. Ribosome Motions Modulate Electrostatic
Properties. Biopolymers, 74(6),
423-431 (2004).
Perryman, A., J.H. Lin, J.A. McCammon. HIV-1 Protease
Molecular Dynamics of a Wild-Type and of the V82F/I84V Mutant:
Possible Contributions to Drug Resistance and a Potential New Target
Site for Drugs. Protein Sci. 13,
1108-1123 (2004).
Zhang, D., R. Konecny, N.A. Baker, J.A. McCammon. Electrostatic
Interaction between RNA and Protein Capsid in CCMV Simulated by a
Coarse-grain RNA model and a Monte Carlo Approach. Biopolymers,
75(4), 325-337
(2004).
R. H. Henchman, H. Wang, S. M. Sine, P. Taylor,
J. A. McCammon. Ligand-induced conformational change in the alpha7
nicotinic receptor ligand binding domain. Biophys. J., 2005,
88, 2564-2576
Zhang, D., J. Suen, Y. Zhang, Y. Song, Z. Radic, P. Taylor,
M.J. Holst, C. Bajaj, N.A. Baker, J.A. McCammon. Tetrameric Mouse
Acetylcholinesterase: Continuum Diffusion Rate Calculations by
Solving the Steady-State Smoluchowski Equation Using Finite Element
Methods. Biophys. J. 88, 1659-1665
(2005).
Dolinsky, T.J., J.E. Nielsen, J.A. McCammon,
N.A. Baker. PDB2PQR: An Automated Pipeline for the Setup, Execution,
and Analysis of Poisson-Boltzmann Electrostatics
Calculations. Nucl. Acid Res. 32,
W665-W669 (2004).
Sims, P.A., C.F. Wong, J.A. McCammon. Charge Optimization of
the Interface between Protein Kinases and their Ligands.
J. Comp. Chem. 25, 1416-1429
(2004).
Senapati, S., C.F. Wong, J.A. McCammon. Finite concentration
effects on diffusion-controlled reactions. J. Chem. Phys. 121,
7896-7900 (2004).
Cerutti, D.S., L.F. Ten Eyck, J.A. McCammon. Rapid Estimation
of Solvation Energy for Simulations of Protein-Protein
Association. J. Chem. Theory Comput. 1,
143-152 (2005).
Lu, B., C.F. Wong, J.A. McCammon. Release of ADP from the
catalytic subunit of protein kinase A: A molecular dynamics
simulation study. Protein Sci. 14,
159-168 (2005).
Cheng, Y., Y. Zhang, J.A. McCammon. How does the
cAMP-Dependent Protein Kinase Catalyze the Phosphorylation Reaction:
an ab initio QM/MM Study. J. Amer. Chem. Soc. 127,
1553-1562 (2005).
Sims, P.A., C.F. Wong, D. Vuga, J.A. McCammon, B.M. Sefton.
Relative Contributions of Desolvation, Inter- and Intramolecular
Interactions to Binding Affinity in Protein Kinase Systems.
J. Comp. Chem. 26, 668-681
(2005).
Robert Konecny, Nathan A. Baker and J. Andrew McCammon. iAPBS:
a programming interface to Adaptive Poisson-Boltzmann Solver
(APBS). Comput Sci Discov. 2012 Jul 26; 5(1):
015005.
Axelrod, H.L., Abresch, E.C., Okamura, M.Y., Yeh, A.P., Rees,
D.C., and Feher, G. : X-ray structure determination of the
cytochrome c2:reaction center electron transfer complex from
Rhodobacter sphaeroides J. Mol. Biol. 319,
501-515
(2002).
O. Miyashita, H. Axelrod and J. N. Onuchic; Different Scenarios
for Inter-Protein Electron Tunneling; The Effect of Water-Mediated
Pathways. Journal of Biological Physics, 2002. 28(3):
p. 383-394.
Miyashita, O.; Okamura, M. Y.; Onuchic, J. N.; Theoretical
Understanding of the Interprotein Electron Transfer between
Cytochrome c2 and the Photosynthetic Reaction Center
J. Phys. Chem. B. ; 2003;
107(5); 1230-1241.
Miyashita, O., J.N. Onuchic, and M.Y. Okamura, Continuum
electrostatic model for the binding of cytochrome c(2) to the
photosynthetic reaction center from Rhodobacter
sphaeroides. Biochemistry, 2003. 42(40):
11651-11660.
Miyashita, O., J.N. Onuchic, and P.G. Wolynes, Nonlinear
elasticity, proteinquakes, and the energy landscapes of functional
transitions in proteins. Proc Natl Acad Sci U S A, 2003. 100(22):
12570-12575.
M. S. Cheung, J. M. Finke, B. Callahan, J. N. Onuchic Exploring
the interplay of topology and secondary structural formation in the
protein folding problem. 2003. J. Phys. Chem., B,
vol. 107. 11193-11200.
A. M. Fernandez-Escamilla, M. S. Cheung, M. C. Vega,
M. Wilmanns, J. N. Onuchic, L. Serrano Solvation in protein folding
analysis, combination of theoretical and experimental approaches.
2004 Proceedings of the National Academy of Science . vol.101
2834-2839.
Leslie L. Chavez, Jose' N. Onuchic, and Cecilia
Clementi. Quantifying the roughness on the Free Energy Landscape:
Entropic bottlenecks and protein folding rates. J. Am. Chem. Soc,
126(27)
8426-8432, 2004.
J. M. Finke, M. S. Cheung, J. N. Onuchic Modeling polyglutamine
structure using a host-guest method combining Landscape Theory with
experimental constraints 2004 Biophysical Journal vol. 87
1900-1918.
Yaakov Levy, Garegin A. Papoian, Jose' N. Onuchic, and Peter G.
Wolynes, The energy landscape analysis of protein dimers Israel J.
Chemistry,
44, 281-297,
(2004)
Yaakov Levy, Amedeo Caflisch, Jose' N. Onuchic, and Peter
G. Wolynes, The folding and dimerization of HIV-1 protease: evidence
for a stable monomer from simulations, J. Mol. Biol.,
340, 67-79,
2004.
Sichun Yang, Samuel S. Cho, Yaakov Levy , Margaret S. Cheung,
Herbert Levine, Peter G. Wolynes and Jose' N. Onuchic, Domain
swapping is a consequence of minimal frustration,
Proc. Natl. Acad. Sci. USA,101,
13786-13791,
(2004).
Yaakov Levy, Samuel S. Cho, Tongye Shen, Jose' N. Onuchic, and
Peter G Wolynes, Symmetry and frustration in protein energy
landscapes: A near degeneracy resolves the Rop dimer-folding
mystery, Proc. Natl. Acad. Sci. USA,
102, 2373-2378,
(2005).
Yaakov Levy, Samuel S. Cho, Jose' N. Onuchic, and Peter G
Wolynes, A survey of flxible protein binding mechanisms and their
transition states using native topology based energy landscapes,
J. Mol. Biol.,
346, 1121-1145,
(2005).
Sichun Yang, H. Levine, and Jose' N. Onuchic, Protein
oligomerization through domain swapping: Role of inter-molecular
interactions and protein concentration, J. Mol. Biol. 352
(1) 202-211
(2005).
Perrin, C. L.; Ohta, B. K.; Kuperman, J.; Liberman, J.;
Erdélyi, M. Stereochemistry of beta-Deuterium Isotope Effects on
Amine Basicity. J. Am. Chem. Soc. 2005,
127, 9641-9647.
Yang J, Ten Eyck LF, Xuong NH, Taylor SS. Crystal structure of a
cAMP-dependent protein kinase mutant at 1.26A: new insights into the
catalytic mechanism. J Mol Biol. 2004 Feb
13;336(2):473-87.
Chen Wang, Maria Angelella, Samantha J. Doyle, Lauren A. Lytwak,
Peter J. Rossky, Bradley J. Holliday, and Michael J. Tauber.
Resonance Raman Spectroscopy of the T1 Triplet Excited State of
Oligothiophenes. J. Phys. Chem. Lett., 2015, 6,
3521–3527.
Johan Ulander and A. D. J. Haymet. Permeation Across Hydrated
DPPC Lipid Bilayers: Simulation of the Titrable Amphiphilic Drug
Valproic Acid. Biophysical Journal Volume 85 , December 2003,
3475-3484.