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P

Pär Söderhjelm

lund university

27H指数
53论文数
2.7K被引数
收录论文 33
发表时间
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Free-Energy Landscape and Rate Estimation of the Aromatic Ring Flips in Basic Pancreatic Trypsin Inhibitors Using Metadynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-12
err0
errOAAI
errKulkarni, Mandar; Soderhjelm, Par
err分享
err收藏
Flexibility and Function of Distal Substrate-Binding Tryptophans in the Blue Mussel β-Mannanase MeMan5A and Their Role in Hydrolysis and Transglycosylation
errCATALYSTS
IF4
err2023-09-07
err3
errOAAI
errBirgersson, Simon; Morrill, Johan; Stenstroem, Olof; Wiemann, Mathias; Weininger, Ulrich; Soederhjelm, Paer; Akke, Mikael; Stalbrand, Henrik
err分享
err收藏
Flap Dynamics in Pepsin-Like Aspartic Proteases: A Computational Perspective Using Plasmepsin-II and BACE-1 as Model Systems
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2022-02-09
err7
errOAAI
errBhakat, Soumendranath; Soderhjelm, Par
err分享
err收藏
The geometry of protein hydration
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-04
err46
errOAAI
errPersson, Filip; Soderhjelm, Par; Halle, Bertil
err分享
err收藏
The spatial range of protein hydration
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-04
err35
errOAAI
errPersson, Filip; Soderhjelm, Par; Halle, Bertil
err分享
err收藏
How proteins modify water dynamics
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-04
err45
errOAAI
errPersson, Filip; Soderhjelm, Par; Halle, Bertil
err分享
err收藏
Can MM/GBSA Calculations be Sped up by System Truncation?
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2017-11-26
err7
errOAAI
errIgnjatovic, Majda Misini; Mikulskis, Paulius; Soderhjelm, Par; Ryde, Ulf
err分享
err收藏
Prediction of binding poses to FXR using multi-targeted docking combined with molecular dynamics and enhanced sampling
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2017-10-20
err6
errOAAI
errBhakat, Soumendranath; Aberg, Emil; Soderhjelm, Par
err分享
err收藏
Resolving the problem of trapped water in binding cavities: prediction of host-guest binding free energies in the SAMPL5 challenge by funnel metadynamics
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2016-08-29
err17
errOAAI
errBhakat, Soumendranath; Soderhjelm, Par
err分享
err收藏
Converging Ligand-Binding Free Energies Obtained with Free-Energy Perturbations at the Quantum Mechanical Level在量子力学水平上通过自由能扰动获得的会聚配体结合自由能
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2016-04-27
err44
errOAAI
errOlsson, Martin A.; Soderhjelm, Par; Ryde, Ulf
err分享
err收藏
Flap Dynamics in Aspartic Proteases: A Computational Perspective
errCHEMICAL BIOLOGY & DRUG DESIGN
IF3.3
err2016-03-15
err25
PREAI
errMahanti, Mukul; Bhakat, Soumendranath; Nilsson, Ulf J.; Soderhjelm, Par
err分享
err收藏
Binding Affinities by Alchemical Perturbation Using QM/MM with a Large QM System and Polarizable MM Model
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2015-08-17
err44
errOAAI
errGenheden, Samuel; Ryde, Ulf; Soderhjelm, Par
err分享
err收藏
Free-energy perturbation and quantum mechanical study of SAMPL4 octa-acid host-guest binding energies
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2014-04-04
err70
PREAI
errMikulskis, Paulius; Cioloboc, Daniela; Andrejic, Milica; Khare, Sakshi; Brorsson, Joakim; Genheden, Samuel; Mata, Ricardo A.; Soderhjelm, Par; Ryde, Ulf
err分享
err收藏
Prediction of hydration free energies for the SAMPL4 data set with the AMOEBA polarizable force field
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2014-03-01
err16
PREAI
errManzoni, Francesco; Soderhjelm, Par
err分享
err收藏
Prediction of SAMPL4 host-guest binding affinities using funnel metadynamics
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2014-02-18
err19
PREAI
errHsiao, Ya-Wen; Soderhjelm, Par
err分享
err收藏
Effect of Geometry Optimizations on QM-Cluster and QM/MM Studies of Reaction Energies in Proteins
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2013-08-22
err90
errOAAI
errSumner, Sophie; Soderhjelm, Par; Ryde, Ulf
err分享
err收藏
Accurate Reaction Energies in Proteins Obtained by Combining QM/MM and Large QM Calculations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2012-11-08
err91
errOAAI
errHu, LiHong; Soderhjelm, Par; Ryde, Ulf
err分享
err收藏
Locating binding poses in protein-ligand systems using reconnaissance metadynamics
errPROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
IF9.1
err2012-03-21
err52
errOAAI
errSoederhjelm, Paer; Tribello, Gareth A.; Parrinello, Michele
err分享
err收藏
Accurate Predictions of Nonpolar Solvation Free Energies Require Explicit Consideration of Binding-Site Hydration
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2011-07-29
err50
errOAAI
errGenheden, Samuel; Mikulskis, Paulius; Hu, LiHong; Kongsted, Jacob; Soederhjelm, Paer; Ryde, Ulf
err分享
err收藏
Conformational Dependence of Isotropic Polarizabilities
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2011-04-11
err14
errOAAI
errSoederhjelm, Paer; Kongsted, Jacob; Ryde, Ulf
err分享
err收藏

研究方向

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合作学者
合作期刊
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Michele Parrinello
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U
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O
Ove Christiansen
H 指数: 69 · 论文数: 257
R
Roland Lindh
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