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Computational and Structural Biotechnology Journal
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February 25, 2015
What can we learn from molecular dynamics simulations for GPCR drug design?
Christofer S Tautermann, Daniel Seeliger, Jan M Kriegl
Communications Chemistry
|
January 25, 2023
Evaluating the use of absolute binding free energy in the fragment optimisation process
Irfan Alibay, Aniket Magarkar, Daniel Seeliger, et al.
Journal of Computational Chemistry
|
December 10, 2014
pmx: Automated protein structure and topology generation for alchemical perturbations
Vytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.
Angewandte Chemie (International Ed. in English)
|
April 29, 2016
Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation Scan
Vytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.
Journal of Chemical Theory and Computation
|
August 13, 2019
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models
Stephanie Maria Linker, Aniket Magarkar, Jürgen Köfinger, et al.
Journal of Chemical Information and Modeling
|
April 26, 2014
Computational method to identify druggable binding sites that target protein-protein interactions
Hubert Li, Vinod Kasam, Christofer S Tautermann, et al.
Structure (London, England : 1993)
|
May 24, 2016
Structural Mechanisms of Voltage Sensing in G Protein-Coupled Receptors
Owen N Vickery, Jan-Philipp Machtens, Giulia Tamburrino, et al.
ACS Chemical Biology
|
October 14, 2011
Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches
Daniel Seeliger, Szabolcs Soeroes, Rebecca Klingberg, et al.
ACS Medicinal Chemistry Letters
|
March 21, 2019
Enhancing Drug Residence Time by Shielding of Intra-Protein Hydrogen Bonds: A Case Study on CCR2 Antagonists
Aniket Magarkar, Gisela Schnapp, Anna-Katharina Apel, et al.
Nucleic Acids Research
|
July 9, 2011
Towards computational specificity screening of DNA-binding proteins
Daniel Seeliger, Floris P Buelens, Maik Goette, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 35) with videos related to
Sort By:
Page
of 4
Computational and Structural Biotechnology Journal
|
February 25, 2015
What can we learn from molecular dynamics simulations for GPCR drug design?
Christofer S Tautermann, Daniel Seeliger, Jan M Kriegl
Communications Chemistry
|
January 25, 2023
Evaluating the use of absolute binding free energy in the fragment optimisation process
Irfan Alibay, Aniket Magarkar, Daniel Seeliger, et al.
Journal of Computational Chemistry
|
December 10, 2014
pmx: Automated protein structure and topology generation for alchemical perturbations
Vytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.
Angewandte Chemie (International Ed. in English)
|
April 29, 2016
Accurate and Rigorous Prediction of the Changes in Protein Free Energies in a Large-Scale Mutation Scan
Vytautas Gapsys, Servaas Michielssens, Daniel Seeliger, et al.
Journal of Chemical Theory and Computation
|
August 13, 2019
Fragment Binding Pose Predictions Using Unbiased Simulations and Markov-State Models
Stephanie Maria Linker, Aniket Magarkar, Jürgen Köfinger, et al.
Journal of Chemical Information and Modeling
|
April 26, 2014
Computational method to identify druggable binding sites that target protein-protein interactions
Hubert Li, Vinod Kasam, Christofer S Tautermann, et al.
Structure (London, England : 1993)
|
May 24, 2016
Structural Mechanisms of Voltage Sensing in G Protein-Coupled Receptors
Owen N Vickery, Jan-Philipp Machtens, Giulia Tamburrino, et al.
ACS Chemical Biology
|
October 14, 2011
Quantitative assessment of protein interaction with methyl-lysine analogues by hybrid computational and experimental approaches
Daniel Seeliger, Szabolcs Soeroes, Rebecca Klingberg, et al.
ACS Medicinal Chemistry Letters
|
March 21, 2019
Enhancing Drug Residence Time by Shielding of Intra-Protein Hydrogen Bonds: A Case Study on CCR2 Antagonists
Aniket Magarkar, Gisela Schnapp, Anna-Katharina Apel, et al.
Nucleic Acids Research
|
July 9, 2011
Towards computational specificity screening of DNA-binding proteins
Daniel Seeliger, Floris P Buelens, Maik Goette, et al.
Page
of 4