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2024
Mark Anisotropic coarse-grain Monte Carlo simulations of lysozyme, lactoferrin, and NISTmAb by precomputing atomistic models
Hatch, Harold W. ; Bergonzo, Christina ; Blanco, Marco A. ; Yuan, Guangcui ; Grudinin, Sergei ; Lund, Mikael ^LU ; Curtis, Joseph E. ; Grishaev, Alexander V. ; Liu, Yun and Shen, Vincent K. (2024) In Journal of Chemical Physics 161(9).
- Contribution to journal › Article
Mark Exploring the factors influencing the ketoenamine-enolimine tautomeric equilibrium of pyridoxal 5′-phosphate in branched-chain aminotransferases
Li, Xue ; Yu, He ; Sun, Jiaqi and Sun, Xiaoli ^LU (2024) In Molecular Catalysis 569.
- Contribution to journal › Article
Mark Enhanced diffusion through multivalency
Bartoš, Ladislav ; Lund, Mikael ^LU and Vacha, Robert (2024) In Soft Matter 21(2). p.179-185
- Contribution to journal › Article
Mark Computational Approaches for Antimicrobial Peptide Delivery
Rios, Thuanny Borba ; Rezende, Samilla Beatriz ; Maximiano, Mariana Rocha ; Cardoso, Marlon Henrique ; Malmsten, Martin ^LU ; de la Fuente-Nunez, Cesar and Franco, Octávio Luiz ^LU (2024) In Bioconjugate Chemistry 35(12). p.1873-1882
- Contribution to journal › Scientific review
Mark C-H Bond Oxidation by Mn^IV-Oxo Complexes : Hydrogen-Atom Tunneling and Multistate Reactivity
Singh, Priya ; Massie, Allyssa A. ; Denler, Melissa C. ; Lee, Yuri ; Mayfield, Jaycee R. ; Lomax, Markell J.A. ; Singh, Reena ^LU ; Nordlander, Ebbe ^LU and Jackson, Timothy A. (2024) In Inorganic Chemistry 63(17). p.7754-7769
- Contribution to journal › Article
Mark Collective wavefunction of Yrast states in ⁵⁰Cr
Idini, A. ^LU ; Ljungberg, J. ^LU ; Boström, J. ^LU and Carlsson, B. G. ^LU (2024) In Nuovo Cimento della Societa Italiana di Fisica C 47(2).
- Contribution to journal › Article
Mark Convergence criteria for single-step free-energy calculations : the relation between the Π bias measure and the sample variance
Wang, Meiting ^LU ; Mei, Ye and Ryde, Ulf ^LU (2024) In Chemical Science 15(23). p.8786-8799
- Contribution to journal › Article
Mark Putative reaction mechanism of nitrogenase with a half-dissociated S2B ligand
Jiang, Hao ^LU and Ryde, Ulf ^LU (2024) In Dalton Transactions 53(27). p.11500-11513
- Contribution to journal › Article
Mark CO Oxidation Mechanism of Silver-Substituted Mo/Cu CO-Dehydrogenase – Analogies and Differences to the Native Enzyme
Rovaletti, Anna ; Moro, Giorgio ; Cosentino, Ugo ; Ryde, Ulf ^LU and Greco, Claudio (2024) In ChemPhysChem 25(13).
- Contribution to journal › Article
Mark Quantum refinement in real and reciprocal space using the Phenix and ORCA software
Lundgren, Kristoffer J.M. ^LU ; Caldararu, Octav ^LU ; Oksanen, Esko and Ryde, Ulf ^LU (2024) In IUCrJ 11(Pt 6). p.921-937
- Contribution to journal › Article

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