Tatu Pantsar

Binding Affinity via Docking: Fact and Fiction

Tatu Pantsar, Antti Poso · Molecules · 2018 · 668 citations · Full text

Cluster Computing, Engineering, Advanced Computing +19

Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development

Outi M. H. Salo‐Ahen, Ida Alanko, Rajendra Bhadane et al. · Processes · 2020 · 580 citations · Full text

Drug Target, Engineering, Md Methodologies +12

A MYC–aurora kinase A protein complex represents an actionable drug target in p53-altered liver cancer

Daniel Dauch, Ramona Rudalska, Giacomo Cossa et al. · Nature Medicine · 2016 · 263 citations

Tumor Biology, Medicine, Receptor Tyrosine Kinase +10

Piperazine and Piperidine Triazole Ureas as Ultrapotent and Highly Selective Inhibitors of Monoacylglycerol Lipase

Niina Aaltonen, Juha R. Savinainen, Casandra Riera Ribas et al. · Chemistry & Biology · 2013 · 114 citations

Molecular Pharmacology, Highly Selective Inhibitors, Biochemistry +7

Assessment of mutation probabilities of KRAS G12 missense mutants and their long-timescale dynamics by atomistic molecular simulations and Markov state modeling

Tatu Pantsar, Sami Rissanen, Daniel Dauch et al. · PLoS Computational Biology · 2018 · 90 citations · Full text

Engineering, Molecular Biology, Markov State Modeling +18