Biophysical Chemistry

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2018
Mark Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
Bhakat, Soumendranath ^LU ; Åberg, Emil and Söderhjelm, Pär ^LU (2018) In Journal of Computer-Aided Molecular Design 32(1). p.59-73
- Contribution to journal › Article
Mark Can MM/GBSA calculations be sped up by system truncation?
Misini Ignjatović, Majda ^LU ; Mikulskis, Paulius ^LU ; Söderhjelm, Pär ^LU and Ryde, Ulf ^LU (2018) In Journal of Computational Chemistry 39(7). p.361-372
- Contribution to journal › Article
Mark Protein-water interactions studied by molecular dynamics simulations
Persson, Filip ^LU (2018)
- Thesis › Doctoral thesis (compilation)
Mark Designing interactions by control of protein-ligand complex conformation : Tuning arginine-arene interaction geometry for enhanced electrostatic protein-ligand interactions
Noresson, A. L. ^LU ; Aurelius, O. ^LU ; Öberg, C. T. ^LU ; Engström, O. ; Sundin, A. P. ^LU ; Håkansson, M. ; Stenström, O. ^LU ; Akke, M. ^LU ; Logan, D. T. ^LU and Leffler, H. ^LU , et al. (2018) In Chemical Science 9(4). p.1014-1021
- Contribution to journal › Article
Mark Aggregate Size Dependence of Amyloid Adsorption onto Charged Interfaces
Tesei, Giulio ^LU ; Hellstrand, Erik ^LU ; Sanagavarapu, Kalyani ^LU ; Linse, Sara ^LU ; Sparr, Emma ^LU ; Vácha, Robert and Lund, Mikael ^LU (2018) In Langmuir 34(4). p.1266-1273
- Contribution to journal › Article
Mark Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity
Peterson, Kristoffer ^LU ; Kumar, Rohit ^LU ; Stenström, Olof ^LU ; Verma, Priya ; Verma, Prashant R. ^LU ; Håkansson, Maria ; Kahl-Knutsson, Barbro ^LU ; Zetterberg, Fredrik ; Leffler, Hakon ^LU and Akke, Mikael ^LU , et al. (2018) In Journal of Medicinal Chemistry 61(3). p.1164-1175
- Contribution to journal › Article
Mark Conformational Entropy of FK506 Binding to FKBP12 Determined by Nuclear Magnetic Resonance Relaxation and Molecular Dynamics Simulations
Solomentsev, Gleb ^LU ; Diehl, Carl ^LU and Akke, Mikael ^LU (2018) In Biochemistry 57(9). p.1451-1461
- Contribution to journal › Article
2017
Mark Site-selective ¹³C labeling of proteins using erythrose
Weininger, Ulrich ^LU (2017) In Journal of Biomolecular NMR 67(3). p.191-200
- Contribution to journal › Article
Mark Theory of water-proton spin relaxation in complex biological systems
Chang, Zhiwei ^LU (2017)
- Thesis › Doctoral thesis (compilation)
Mark Structural model of dodecameric heat-shock protein Hsp21 : Flexible N-terminal arms interact with client proteins while C-terminal tails maintain the dodecamer and chaperone activity
Rutsdottir, Gudrun ^LU ; Härmark, Johan ; Weide, Yoran ^LU ; Hebert, Hans ^LU ; Ib Rasmussen, Morten ; Wernersson, Sven ^LU ; Respondek, Michal ^LU ; Akke, Mikael ^LU ; Højrup, Peter and Koeck, Philip J B , et al. (2017) In Journal of Biological Chemistry 292(19). p.8103-8121
- Contribution to journal › Article

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