-
Notifications
You must be signed in to change notification settings - Fork 0
/
Copy pathpublications.html
564 lines (537 loc) · 25.9 KB
/
publications.html
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
558
559
560
561
562
563
564
<!DOCTYPE HTML>
<!--
TXT by HTML5 UP
html5up.net | @ajlkn
Free for personal and commercial use under the CCA 3.0 license (html5up.net/license)
-->
<html>
<head>
<title>Pfaendtner Research Group - Publications</title>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1, user-scalable=no" />
<link rel="stylesheet" href="assets/css/main.css" />
</head>
<body class="is-preload">
<div id="page-wrapper">
<!-- Header -->
<header id="header" style="display: none">
<div class="logo container">
<div>
<h1><a href="index.html" id="logo">PRG</a></h1>
<p>University of Washington, Seattle</p>
</div>
</div>
</header>
<!-- Nav -->
<nav id="nav">
<ul>
<li><a href="index.html">Home</a></li>
<li>
<a href="research.html">Research</a>
<ul>
<li><a href="research.html#molecular-data-science">Molecular Data Science</a></li>
<li>
<a href="research.html#biomolecular-sims">Biomolecular Simulations</a>
<ul>
<li><a href="research.html#proteins-at-interfaces">Proteins at interfaces</a></li>
<li><a href="research.html#proteins-in-solution">Proteins in solution</a></li>
</ul>
</li>
<li><a href="research.html#reaction-networks">Reaction Networks</a></li>
<li><a href="research.html#clean-energy">Clean Energy Materials</a></li>
</ul>
</li>
<li class="current"><a href="publications.html">Publications</a></li>
<li><a href="members.html">Members</a></li>
<li><a href="news.html">News</a></li>
<!--<li><a href="blog.html">Blog</a></li>-->
<li><a href="#footer" class="scrolly">Contact</a></li>
</ul>
</nav>
<!-- Banner -->
<section id="banner" style="background-image: none, none, url('images/rawpixel-649908-unsplash.jpg')">
<div class="content" style="background-color: rgba(21, 28, 23, 0.5);">
<h2>Publications</h2>
</div>
<span style="display: none;">Photo by rawpixel on Unsplash</span>
</section>
<!-- Main -->
<section id="main" style="padding-top: 0px">
<div class="container">
<!-- Page nav -->
<div id="page-nav">
<ul>
<li><a href="#2019">2019</a></li>
<li><a href="#2018">2018</a></li>
<li><a href="#2017">2017</a></li>
<li><a href="#2016">2016</a></li>
<li><a href="#2015">2015</a></li>
<li><a href="#2014">2014</a></li>
<li><a href="#2013">2013</a></li>
<li><a href="#2012">2012</a></li>
</ul>
</div>
<div id="2019" class="row">
<div class="col-2 col-12-medium">
<h2>2019</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="https://pubs.acs.org/doi/10.1021/acs.jcim.9b00087">Fantastic Liquids and
Where to Find Them: Optimizations of Discrete Chemical Space</a>
<authors><a href="members.html#wesley">W. Beckner</a> and <a href="members.html#jim">J. Pfaendtner</a>, </authors>
<journal>J. Chem. Inf. Model.</journal>
</li>
<li>
<a href="https://pubs.acs.org/doi/10.1021/acs.langmuir.8b01392">Molecular Driving
Forces in Peptide Adsorption to Metal Oxide Surfaces</a>
<authors><a href="members.html#coco">M. Mao</a>, <a href="members.html#janani">J. Sampath</a>, K.G. Sprenger, G. Drobny, <a href="members.html#jim">J. Pfaendtner</a>, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="https://pubs.acs.org/doi/10.1021/acs.jpca.8b11780">Diagnosing the Impact
of External Electric Fields Chemical Kinetics: Application to Toluene Oxidation and Pyrolysis</a>
<authors>C.D. Fu, Y. He, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. A.</journal>
</li>
<li>
<a href="https://pubs.acs.org/doi/10.1021/jacs.8b10990">A Solid-State NMR and MD
Study of the Structure of the Statherin Mutant SNa15 on Mineral Surfaces</a>
<authors>E.L. Buckle, A. Prakash, M. Bonomi, <a href="members.html#janani">J. Sampath</a>, <a href="members.html#jim">J. Pfaendtner</a>, G.P. Drobny, </authors>
<journal>JACS</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2018" class="row">
<div class="col-2 col-12-medium">
<h2>2018</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="https://pubs.rsc.org/en/content/articlelanding/2018/cp/c8cp03382j">Ice-binding
site of surface-bound type III antifreeze protein partially decoupled from water</a>
<authors>D. Verreault, <a href="members.html#sarah">S. Alamdari</a>, S. Roeters, R. Pandey, <a href="members.html#jim">J. Pfaendtner</a>, T. Weidner, </authors>
<journal>Phys. Chem. Chem. Phys.</journal>
</li>
<li>
<a href="https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.8b05850">Inhibition
of the Exoglucanase CEL7A by a Douglas-fir Condensed Tanin</a>
<authors>KR Oleson, KG Sprenger, <a href="members.html#jim">J. Pfaendtner</a>, DT Schwartz</authors>
<journal>JCPB</journal>
</li>
<li>
<a href="https://pubs.acs.org/doi/abs/10.1021/acs.jctc.8b00448" >Biasing
Smarter, Not Harder, By Partitioning Collective Variables Into Families in Parallel
Bias Metadynamics</a>
<authors>A Prakash, C. Fu,
M Bonomi, <a href="members.html#jim">J Pfaendtner</a></authors>
<journal>JCTC</journal>
</li>
<li>
<a href="https://aip.scitation.org/doi/abs/10.1063/1.5021359">Density
functional tight-binding and infrequent metadynamics can capture entropic
effects in intramolecular hydrogen transfer reactions</a>
<authors>LFL Oliveira, C Fu,
<a href="members.html#jim">J Pfaendtner</a></authors>
<journal>JCP</journal>
</li>
<li>
<a href="https://pubs.acs.org/doi/abs/10.1021/acs.jctc.7b01289" class="title">Lifting
the Curse of Dimensionality on Enhanced Sampling of Reaction Networks with Parallel
Bias Metadynamics</a>
<authors>C Fu, <a href="members.html#jim">J Pfaendtner</a></authors>
<journal>JCTC</journal>
</li>
<li>
<a href="#">Peptoid backbone flexibility dictates its interaction with water and surfaces: A molecular dynamics investigation</a>
<authors>A. Prakash, M. Baer, C.J. Mundy, J. Pfaendtner, </authors>
<journal>in press Biomacromolecules</journal>
</li>
<li>
<a href="#">Investigating the Role of Phosphorylation in the Binding of Silaffin Peptide R5 to Silica with Molecular Dynamics Simulations</a>
<authors>K. G. Sprenger, A. Prakash, G. Drobny, J. Pfaendtner, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="#">Essential slow degrees of freedom in protein-surface simulations: A metadynamics investigation</a>
<authors>A. Prakash, K. G. Sprenger, J. Pfaendtner, </authors>
<journal>Biochem. Biophys. Res. Commun.</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2017" class="row">
<div class="col-2 col-12-medium">
<h2>2017</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="#">LK peptide side chain dynamics at interfaces are independent of secondary structure</a>
<authors>M. A. Donovan, H. Lutz, Y. Y. Yimer, J. Pfaendtner, M. Bonn, T. Weidner, </authors>
<journal>Phys. Chem. Chem. Phys.</journal>
</li>
<li>
<a href="#">Mechanism of Competitive Inhibition and Destabilization of Acidothermus cellulolyticus Endoglucanase 1 by Ionic Liquids</a>
<authors>S. R. Summers, K. G. Sprenger, J. Pfaendtner, J. Marchant, M. F. Summers, J. L. Kaar, </authors>
<journal>J. Phys. Chem. B.</journal>
</li>
<li>
<a href="#">Redefining the Protein–Protein Interface: Coarse Graining and Combinatorics for an Improved Understanding of Amino Acid Contributions to the Protein–Protein Binding Affinity</a>
<authors>J. K. Smith, S. Jiang, J. Pfaendtner, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="#">Quantifying the Molecular-Scale Aqueous Response to the Mica Surface</a>
<authors>A. Prakash, J. Pfaendtner, J. Chun, C. J. Mundy, </authors>
<journal>J. Phys. Chem. C.</journal>
</li>
<li>
<a href="#">Thiolated Lysine-Leucine Peptides Self-Assemble into Biosilica Nucleation Pits on Gold Surfaces</a>
<authors>H. Lu, Y. Yimer, R. Berger, M. Bonn, J. Pfaendtner, T. Weidner, </authors>
<journal>Advanced Materials Interfaces</journal>
</li>
<li>
<a href="#">Data Science for Chemical Engineers</a>
<authors>D. Beck, J. Pfaendtner, J. Carothers, V. Subramanian, </authors>
<journal>Chem. Eng. Progress</journal>
</li>
<li>
<a href="#">Enhancing the Oxidation of Toluene with External Electric Fields: A Reactive Molecular Dynamics Study</a>
<authors>S. Tan, T. Xia, Y. Shi, J. Pfaendtner, Z. Shuangliang, Y. He, </authors>
<journal>Scientific Reports</journal>
</li>
<li>
<a href="#">Determining dominant driving forces affecting controlled protein release from polymeric nanoparticles</a>
<authors>K.G. Sprenger, J. Smith, R. Liao, A. Joseph, E.A. Nance, J. Pfaendtner, </authors>
<journal>Biointerphases</journal>
</li>
<li>
<a href="#">Elucidating sequence and solvent specific design targets to protect and stabilize enzymes for biocatalysis in ionic liquids</a>
<authors>K.G. Sprenger, J.G. Plaks, J. Kaar, J. Pfaendtner, </authors>
<journal>PhysChemChemPhys</journal>
</li>
<li>
<a href="#">Effect of an Ionic Liquid/Air Interface on the Structure and Dynamics of Amphiphilic Peptides</a>
<authors>K.G. Sprenger, K. Palunas, T. Weidner, J. Pfaendtner, </authors>
<journal>J. Mol. Liq.</journal>
</li>
<li>
<a href="#">The Structure of the Diatom Silaffin Peptide R5 within Freestanding Two-Dimensional Biosilica Sheets</a>
<authors>H. Lutz, V. Jaeger, L. Schmüser, M. Bonn, J. Pfaendtner, T. Weidner, </authors>
<journal>Ang. Chem. Int. Ed.</journal>
</li>
<li>
<a href="#">Assessing Generic Collective Variables for Determining Reaction Rates in Metadynamics Simulations</a>
<authors>C.D. Fu, L.F.L., Oliveira, J. Pfaendtner, </authors>
<journal>J. Chem. Theor. Comput.</journal>
</li>
<li>
<a href="#">Tuning crystallization pathways through sequence- engineering of biomimetic polymers</a>
<authors>X. Ma, S. Zhang, F. Jiao, C. Newcomb, Y. Zhang, A. Prakash, Z. Liao, M. Baer, C. Mundy, J. Pfaendtner, A. Noy, C. Chen, J. De Yoreo, </authors>
<journal>Nature Materials</journal>
</li>
<li>
<a href="#">Determining Energy Barriers and Selectivities of a Multi- Pathway System With Infrequent Metadynamics</a>
<authors>C.D. Fu, L.F.L. Oliveira, J. Pfaendtner, </authors>
<journal>J Chem Phys.</journal>
</li>
<li>
<a href="#">Acetylation dictates the morphology of nanophase biosilica precipitated by a 14-amino acid leucine-lysine peptide</a>
<authors>H. Lutz, V. Jaeger, M. Bonn, J. Pfaendtner, T. Weidner, </authors>
<journal>J. Peptide Sci.</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2016" class="row">
<div class="col-2 col-12-medium">
<h2>2016</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="#">Application of machine learning to pyrolysis reaction networks: reducing model solution time to enable process optimization</a>
<authors>B. Hough, D.A.C. Beck, D.T. Schwartz, J. Pfaendtner, </authors>
<journal>Comp and Chem Eng.</journal>
</li>
<li>
<a href="#">Destabilization of Human Serum Albumin by Ionic Liquids Studied Using Enhanced Molecular Dynamics Simulations</a>
<authors>V. Jaeger, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. B</journal>
</li>
<li>
<a href="#">Chain Flexibility in Self-Assembled Monolayers Affects Protein Adsorption and Surface Hydration, a Molecular Dynamics Study</a>
<authors>W. A. Beckner, Y. He, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. B.</journal>
</li>
<li>
<a href="#">Kinetics and mechanism of ionic-liquid induced protein unfolding: Application to the model protein HP35</a>
<authors>H. Tung, J. Pfaendtner, </authors>
<journal>Mol. Syst. Des. Eng.</journal>
</li>
<li>
<a href="#">Ice Nucleating Bacteria Control Order and Dynamics of Interfacial Water</a>
<authors>R. Pandey, K. Usui, R.A. Livingstone, S.A. Fischer, J. Pfaendtner, E.H.G. Backus, Y. Nagata, J. Fröhlich-Nowoisky, L. Schmüser, S. Mauri, J.F. Scheel, D.A. Knopf, U. Pöschl, M. Bonn, T. Weidner, </authors>
<journal>Science Advances</journal>
</li>
<li>
<a href="#">Probing how defects in self-assembled monolayers affect peptide adsorption with molecular simulation</a>
<authors>K.G. Sprenger, Y. He, J. Pfaendtner, </authors>
<journal>in Molecular Modeling and Simulation</journal>
</li>
<li>
<a href="#">Strong Electrostatic Interactions Lead to Entropic Stabilization of Peptides on Surfaces</a>
<authors>K.G. Sprenger and J. Pfaendtner, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="#">Millisecond Pulsed Films Unify the Mechanisms of Cellulose Fragmentation</a>
<authors>C. Krumm, J. Pfaendtner, P.J. Dauenhauer, </authors>
<journal>Chemistry of Materials</journal>
</li>
<li>
<a href="#">Data science: Accelerating innovation and discovery in chemical engineering</a>
<authors>D. Beck, J.M. Carothers, V. Subramanian, J. Pfaendtner, </authors>
<journal>AIChE Journal</journal>
</li>
<li>
<a href="#">Ultrafast reorientational dynamics of leucine at the air-water interface</a>
<authors>M. Donovan, Y. Yimmer, J. Pfaendtner, E. Backus, M. Bonn, T. Weidner, </authors>
<journal>JACS</journal>
</li>
<li>
<a href="#">Lytic Polysaccharide Monooxygenases ScLPMO10B and ScLPMO10C Are Stable in Ionic Liquids as Determined by Molecular Simulations</a>
<authors>K.G. Sprenger, A. Choudhury, J. Kaar, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. B.</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2015" class="row">
<div class="col-2 col-12-medium">
<h2>2015</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="#">New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations</a>
<authors>K. Fleming, P. Tiwary, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. A.</journal>
</li>
<li>
<a href="#">Folding and insertion thermodynamics of the transmembrane WALP peptide</a>
<authors>T. Bereau, W.F. Drew Bennett, J. Pfaendtner, M. Deserno, M. Karttunen, </authors>
<journal>J. Chem. Phys.</journal>
</li>
<li>
<a href="#">Efficient sampling of high-dimensional free-energy landscapes with Parallel Bias Metadynamics</a>
<authors>J. Pfaendtner, M. Bonomi, </authors>
<journal>J. Chem. Theor. Comput.</journal>
</li>
<li>
<a href="#">Biomimetic Growth of Ultrathin Silica Sheets Using Artificial Amphiphilic Peptides</a>
<authors>H. Lutz, V.W. Jaeger, R. Berger, M. Bonn, J. Pfaendtner, T. Weidner, </authors>
<journal>Advanced Materials Interfaces</journal>
</li>
<li>
<a href="#">Structure Characterization and Properties of Metal-Surfactant Complexes Dispersed in Organic Solvents</a>
<authors>P. de la Iglesia, V.W. Jaeger, Y. Xi, J. Pfaendtner, L. D. Pozzo, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="#">Trp-Cage Folding on Organic Surfaces</a>
<authors>Z. Levine, S.A. Fischer, J.E. Shea and J. Pfaendtner, </authors>
<journal>J. Phys. Chem. B.</journal>
</li>
<li>
<a href="#">Effect of hydrophobic and hydrophilic surfaces on the stability of double-stranded DNA</a>
<authors>R. Elder, J. Pfaendtner, A. Jayaraman, </authors>
<journal>Biomacromolecules</journal>
</li>
<li>
<a href="#">The General AMBER Force Field (GAFF) Can Accurately Predict Thermodynamic and Transport Properties of Many Ionic Liquids</a>
<authors>K. G. Sprenger, V.W. Jaeger, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. B.</journal>
</li>
<li>
<a href="#">Molecular dynamics investigation of the ionic liquid/enzyme interface: Application to engineering enzyme surface charge</a>
<authors>P. Burney, E. M. Norwald, K. Hickman, J. L. Kaar, J. Pfaendtner, </authors>
<journal>Proteins</journal>
</li>
<li>
<a href="#">Solvatochromism and Conformational Changes in Fully Dissolved Poly(3-alkylthiophene)s</a>
<authors>G. Newbloom, S. Hoffmann, A. West, M. Gile, P. Sista,; H. Cheung, C. Luscombe, J. Pfaendtner, L. D. Pozzo, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="#">Comparison of Three Ionic Liquid Tolerant Cellulases by Molecular Dynamics</a>
<authors>V. Jaeger, P. Burney, J. Pfaendtner, </authors>
<journal>Biophysical Journal</journal>
</li>
<li>
<a href="#">A new graduate level seminar to prepare students for the next step in their career</a>
<authors>K. Fleming, J. Matthei, J. Pfaendtner, </authors>
<journal>Chemical Engineering Education</journal>
</li>
<li>
<a href="#">Enhanced sampling of chemical and biochemical reactions with metadynamics</a>
<authors>S. Zheng, J. Pfaendtner, </authors>
<journal>Molecular Simulation</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2014" class="row">
<div class="col-2 col-12-medium">
<h2>2014</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="#">Diatom mimics: directing the formation of biosilica nano-particles by controlled folding of lysine- leucine peptides</a>
<authors>J. E. Baio, A. Zane, V. Jaeger, A.M. Roehrich, H. Lutz, J. Pfaendtner, G P. Drobny, and T Weidner, </authors>
<journal>JACS</journal>
</li>
<li>
<a href="#">Car–Parrinello Molecular Dynamics + Metadynamics Study of High- Temperature Methanol Oxidation Reactions Using Generic Collective Variables</a>
<authors>S. Zheng, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. C.</journal>
</li>
<li>
<a href="#">Ionic Liquids Can Selectively Change the Conformational Free-Energy Landscape of Sugar Rings</a>
<authors>Z. Jarin and J. Pfaendtner, </authors>
<journal>J. Chem. Theor. Comput.</journal>
</li>
<li>
<a href="#">Structural Effects of Methionine Oxidation on Isolated Subdomains of Human Fibrin D and αC regions</a>
<authors>P. Burney, N. White, J. Pfaendtner, </authors>
<journal>PLoS One</journal>
</li>
<li>
<a href="#">Fast Pyrolysis of Wood Particles: Spatiotemporally-Resolved Diffuse Reflectance in situ Spectroscopy of Particles (STR-DRiSP)</a>
<authors>A. Paulson, B. Hough, C. L. Williams, A. R. Teixeira, D. T. Schwartz, J. Pfaendtner, P. J. Dauenhauer, </authors>
<journal>Chem Sus Chem</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2013" class="row">
<div class="col-2 col-12-medium">
<h2>2013</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="#">Characterizing the catalyzed hydrolysis of β-1,4 glycosidic bonds using DFT</a>
<authors>K. L. Fleming, J. Pfaendtner, </authors>
<journal>J. Phys. Chem. A</journal>
</li>
<li>
<a href="#">Exhaustively Sampling Peptide Adsorption with Metadynamics</a>
<authors>M. Deighan, J. Pfaendtner, </authors>
<journal>Langmuir</journal>
</li>
<li>
<a href="#">Insights into Solvated Salt Bridges</a>
<authors>A. White, A. Keefe, J. R. Ella-Menye, A. Nowinski, Q. Shao, J. Pfaendtner, S. Jiang, </authors>
<journal>J. Phys. Chem. B</journal>
</li>
<li>
<a href="#">Structure, Dynamics and Activity of Xylanase Solvated in Binary Mixtures of Ionic Liquid and Water</a>
<authors>V. Jaeger and J. Pfaendtner, </authors>
<journal>ACS Chemical Biology</journal>
</li>
<li>
<a href="#">Structural and dynamic features of Candida rugosa Lipase1 in Water, Octane, Toluene, and Ionic Liquids BMIM-PF6 and BMIM-NO3</a>
<authors>P. Burney and J. Pfaendtner, </authors>
<journal>J. Phys. Chem. B</journal>
</li>
</ul>
</div>
</div>
</div>
<div id="2012" class="row">
<div class="col-2 col-12-medium">
<h2>2012</h2>
</div>
<div class="col-10 col-12-medium">
<div class="content">
<!-- Publications -->
<ul class="pubs">
<li>
<a href="#">Efficient Simulation of Explicitly Solvated Proteins in the Well-Tempered Ensemble</a>
<authors>M. Deighan, M. Bonomi, J. Pfaendtner, </authors>
<journal>J. Chem. Theor. Comp.</journal>
</li>
<li>
<a href="#">Key Structural Features of the Actin Filament Arp2/3 Complex Branch Junction Revealed by Molecular Simulation</a>
<authors>J. Pfaendtner, N. Volkmann, D. Hanein, P. Dalhaimer, T.D. Pollard, G.A. Voth, </authors>
<journal>J. Mol. Biol</journal>
</li>
</ul>
</div>
</div>
</div>
</div>
</section>
<!-- Footer -->
<footer id="footer">
<div class="container">
<div class="row gtr-200">
<div class="col-12">
<!-- Contact -->
<section>
<h2 class="major"><span>Get in touch</span></h2>
<ul class="contact">
<li><a class="icon fa-github" href="https://github.com/UWPRG"><span class="label">Github</span></a></li>
<li><a class="icon fa-twitter" href="https://twitter.com/PfaendtnerLab"><span class="label">Twitter</span></a></li>
<li><a class="icon fa-linkedin" href="https://www.linkedin.com/in/jim-pfaendtner-063a9720/"><span class="label">LinkedIn</span></a></li>
<!--<li><a class="icon fa-facebook" href="#"><span class="label">Facebook</span></a></li>-->
<!--<li><a class="icon fa-instagram" href="#"><span class="label">Instagram</span></a></li>-->
</ul>
</section>
</div>
</div>
<!-- Copyright -->
<div id="copyright">
<ul class="menu">
<li>© Untitled. All rights reserved</li><li>Design: <a href="http://html5up.net">HTML5 UP</a></li>
</ul>
</div>
</div>
</footer>
</div>
<!-- Scripts -->
<script src="assets/js/jquery.min.js"></script>
<script src="assets/js/jquery.dropotron.min.js"></script>
<script src="assets/js/jquery.scrolly.min.js"></script>
<script src="assets/js/browser.min.js"></script>
<script src="assets/js/breakpoints.min.js"></script>
<script src="assets/js/util.js"></script>
<script src="assets/js/main.js"></script>
</body>
</html>