K. Kolmodin

发表

The catalytic mechanism of protein tyrosine phosphatases revisited

J. Åqvist, J. Åqvist, K. Kolmodin, 2001, FEBS letters.

Chapter 7 – Computational enzymology: Protein tyrosine phosphatase reactions

J. Åqvist, V. Luzhkov, K. Kolmodin, 2001 .

Computational modeling of catalysis and binding in low‐molecular‐weight protein tyrosine phosphatase

J. Åqvist, K. Kolmodin, 1999 .

Mechanism of substrate dephosphorylation in low Mr protein tyrosine phosphatase

P. Nordlund, J. Åqvist, J. Åqvist, 1999, Proteins.

Evidence for dimeric BACE-mediated APP processing.

U. Lendahl, A. Juréus, K. Kolmodin, 2010, Biochemical and biophysical research communications.

Toward β-Secretase-1 Inhibitors with Improved Isoform Selectivity.

Clay W Scott, R. Bürli, J. Holenz, 2018, Journal of medicinal chemistry.

Discovery of AZD3839, a Potent and Selective BACE1 Inhibitor Clinical Candidate for the Treatment of Alzheimer Disease*

Britt-Marie Swahn, Bart Ploeger, Tjerk Bueters, 2012, The Journal of Biological Chemistry.

Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency.

Gianni Chessari, Mark Sylvester, Rutger H A Folmer, 2007, Journal of medicinal chemistry.

Design, synthesis, and computational affinity prediction of ester soft drugs as inhibitors of dihydrofolate reductase from Pneumocystis carinii.

J. Åqvist, A. Hallberg, K. Kolmodin, 2004, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

New aminoimidazoles as β-secretase (BACE-1) inhibitors showing amyloid-β (Aβ) lowering in brain.

S. Eketjäll, B. Swahn, K. Kolmodin, 2012, Journal of medicinal chemistry.

Computer Simulation of Protein Tyrosine Phosphatase Reaction Mechanisms and Dihydrofolate Reductase Inhibition

K. Kolmodin, Elsevier Science, Vi Kolmodin, 2001 .

Mechanistic alternatives in phosphate monoester hydrolysis: what conclusions can be drawn from available experimental data?

A. Warshel, J. Åqvist, J. Florián, 1999, Chemistry & biology.

AZ-4217: A High Potency BACE Inhibitor Displaying Acute Central Efficacy in Different In Vivo Models and Reduced Amyloid Deposition in Tg2576 Mice

S. Eketjäll, B. Swahn, K. Kolmodin, 2013, The Journal of Neuroscience.

Q: a molecular dynamics program for free energy calculations and empirical valence bond simulations in biomolecular systems.

J. Åqvist, I. Feierberg, J. Åqvist, 1998, Journal of molecular graphics & modelling.

State-of-the-art Tools for Computational Site of Metabolism Predictions: Comparative Analysis, Mechanistical Insights, and Future Applications

Lars Carlsson, Anders Broo, Ulrik Jurva, 2007, Drug metabolism reviews.

Aminoimidazoles as BACE-1 inhibitors: the challenge to achieve in vivo brain efficacy.

Britt-Marie Swahn, Margareta Ek, Johan Lindström, 2012, Bioorganic & medicinal chemistry letters.

Design and synthesis of β-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of β-amyloid peptides.

Britt-Marie Swahn, Johan Lindström, Stefan Berg, 2012, Journal of medicinal chemistry.

Design of compound libraries for fragment screening

Niklas Blomberg, David A. Cosgrove, Peter W. Kenny, 2009, J. Comput. Aided Mol. Des..

Prediction of a ligand‐induced conformational change in the catalytic core of Cdc25A

J. Åqvist, K. Kolmodin, Karin Kolmodin, 2000, FEBS letters.

Computer Simulation of Protein Tyrosine Phosphatase Reaction Mechanisms and Dihydrofolate Reductase Inhibition

K. Kolmodin, 2001 .

Creation of Novel Cores for β-Secretase (BACE-1) Inhibitors: A Multiparameter Lead Generation Strategy.

M. Svensson, B. Swahn, K. Kolmodin, 2014, ACS medicinal chemistry letters.

Molecular Dynamics Simulations of Substrate Dephosphorylation by Low Molecular Weight Protein Tyrosine Phosphatase

J. Åqvist, K. Kolmodin, 1999 .

Potent and orally efficacious benzothiazole amides as TRPV1 antagonists.

D. Labrecque, M. Maudet, M. Svensson, 2012, Bioorganic & medicinal chemistry letters.

Computational modeling of the rate limiting step in low molecular weight protein tyrosine phosphatase

J. Åqvist, K. Kolmodin, Karin Kolmodin, 1999, FEBS letters.