Computational Chemistry

261 – 270 of 1135

show: 10
|
sort: year (new to old)

News feed Embed this list Save this search Mark all Export

Cancel

Embed this list

copy and paste the html snippet below into your own page:

<iframe src="https://lup.lub.lu.se/search/organization/v1000659?embed=1&amp;hide_pagination=1&amp;hide_info=1&amp;hide_options=1"
  width="100%"
  height="400"
  allowtransparency="true"
  frameborder="0">
</iframe>

« previous
1
…
26
27
28
29
…
114
next »

2019
Mark Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding
Verteramo, Maria Luisa ^LU ; Stenström, Olof ^LU ; Ignjatović, Majda Misini ^LU ; Caldararu, Octav ^LU ; Olsson, Martin A. ^LU ; Manzoni, Francesco ^LU ; Leffler, Hakon ^LU ; Oksanen, Esko ^LU ; Logan, Derek T. ^LU and Nilsson, Ulf J. ^LU , et al. (2019) In Journal of the American Chemical Society 141(5). p.2012-2026
- Contribution to journal › Article
Mark Are crystallographic : B-factors suitable for calculating protein conformational entropy?
Caldararu, Octav ^LU ; Kumar, Rohit ^LU ; Oksanen, Esko ^LU ; Logan, Derek T. ^LU and Ryde, Ulf ^LU (2019) In Physical Chemistry Chemical Physics 21(33). p.18149-18160
- Contribution to journal › Article
Mark Synthesis, spectroscopy and QM/MM simulations of a biomimetic ultrafast light-driven molecular motor
Schapiro, Igor ; Gueye, Moussa ; Paolino, Marco ; Fusi, Stefania ; Marchand, Gabriel ; Haacke, Stefan ; Martin, M. Elena ; Huntress, Mark ; Vysotskiy, Victor P. ^LU and Veryazov, Valera ^LU , et al. (2019) In Photochemical and Photobiological Sciences 18(9). p.2259-2269
- Contribution to journal › Article
Mark How Will the Emerging Plurality of Lives Change? : How We Conceive of and Relate to Life?
Persson, Erik ^LU ; Abbott, Jessica ^LU ; Balkenius, Christian ^LU ; Cabak Rédei, Anna ^LU ; Capova, Klara Anna ^LU ; Dravins, Dainis ^LU ; Dunér, David ^LU ; Gunneflo, Markus ^LU ; Hedlund, Maria ^LU and Johansson, Mats ^LU , et al. (2019) In Challenges
- Contribution to journal › Article
Mark Temperature Dependence of Intrinsically Disordered Proteins in Simulations : What are We Missing?
Jephthah, S. ^LU ; Staby, L. ; Kragelund, B. B. and Skepö, M. ^LU (2019) In Journal of Chemical Theory and Computation 15(4). p.2672-2683
- Contribution to journal › Article
Mark Trapping of Gas Bubbles in Water at a Finite Distance below a Water-Solid Interface
Esteso, V. ; Carretero-Palacios, S. ; Thiyam, P. ^LU ; Míguez, H. ; Parsons, D. F. ; Brevik, I. and Boström, M. (2019) In Langmuir 35(12). p.4218-4223
- Contribution to journal › Article
Mark Host-Guest Relative Binding Affinities at Density-Functional Theory Level from Semiempirical Molecular Dynamics Simulations
Wang, Meiting ; Mei, Ye and Ryde, Ulf ^LU (2019) In Journal of Chemical Theory and Computation 15(4). p.2659-2671
- Contribution to journal › Article
Mark QM/MM study of the stereospecific proton exchange of glutathiohydroxyacetone by glyoxalase I
Jafari, Sonia ; Ryde, Ulf ^LU and Irani, Mehdi (2019) In Results in Chemistry 1.
- Contribution to journal › Article
Mark Pyridine-cyanoanthracene bonded exciplex
Bolaño, Iria ^LU ; Naderi, Fereshteh and Veryazov, Valera ^LU (2019) International Conference of Computational Methods in Sciences and Engineering 2019, ICCMSE 2019 In AIP Conference Proceedings 2186.
- Chapter in Book/Report/Conference proceeding › Paper in conference proceeding
Mark Polyelectrolyte-nanoplatelet complexation : Is it possible to predict the state diagram?
Jansson, Maria ^LU and Skepö, Marie ^LU (2019) In International Journal of Molecular Sciences 20(24).
- Contribution to journal › Article

« previous
1
…
26
27
28
29
…
114
next »

Publications

Open access (%)

Authors/Editors

(320)
(117)
(97)
(87)
(71)
(68)
(63)
(60)
(57)
(52)
(45)
(35)
(34)
(33)
(32)
(28)
(27)
(25)
(24)
(24)
(23)
(20)
(20)
(19)
(18)
(18)
(18)
(18)
(17)
(17)
(16)
(16)
(16)
(14)
(14)
(14)
(14)
(13)
(13)
(13)
(13)
(12)
(12)
(12)
(12)
(12)
(12)
(11)
(11)
(10)

your query:: Remove department: Computational Chemistry