Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics

por Kulkarni, Mandar, Söderhjelm, Pär
Publicado 2023

Resolving the problem of trapped water in binding cavities: prediction of host–guest binding free energies in the SAMPL5 challenge by funnel metadynamics

por Bhakat, Soumendranath, Söderhjelm, Pär
Publicado 2016

Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems

por Bhakat, Soumendranath, Söderhjelm, Pär
Publicado 2022

Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling

por Bhakat, Soumendranath, Åberg, Emil, Söderhjelm, Pär
Publicado 2017

Converging ligand‐binding free energies obtained with free‐energy perturbations at the quantum mechanical level

por Olsson, Martin A., Söderhjelm, Pär, Ryde, Ulf
Publicado 2016

Implementation of multimodal computed tomography in a telestroke network: Five‐year experience

por Garcia‐Esperon, Carlos, Soderhjelm Dinkelspiel, Frode, Miteff, Ferdi, Gangadharan, Shyam, Wellings, Tom, O´Brien, Bill, Evans, James, Lillicrap, Tom, Demeestere, Jelle, Bivard, Andrew, Parsons, Mark, Levi, Chris, Spratt, Neil James
Publicado 2019

The Hipparcos mission: pre-launch status ; 3, the data reductions

por Perryman, M A C, Lindegren, L, Murray, C A, Høg, E, Kovalevsky, J, Amoretti, M, Andreasen, G K, Badiali, M, Belforte, P, Bernacca, P L, Bertani, D, Betti, B, Borriello, L, Bucciarelli, B, Canuto, E, Cardini, D, Carlucci, D, Cetica, M, Van Daalen, D, Didelon, P, Donati, F, Dupic, J, Egret, D, Emanuele, A, Falin, J L, Fassino, B, Froeschlé, M, Galligani, I, Grewing, M, Hansen, P C, Huc, C, Iori-Fili, D, Lattanzi, M G, Van Leeuwen, F W, Lestrade, J F, Van der Marel, H, McLean, B J, Migliaccio, F, Mignard, F, Morando, B, Murgolo, F P, Petersen, C, Pieplu, J L, Preston, R A, Prezioso, N, Röser, S, Söderhjelm, S, Sanso, F, Scales, D, Schirone, M G, Schrijver, H, Tommasini, T, Vargas, A, Walter, H G
Publicado 1989