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Journal of Chemical Theory and Computation
|
November 26, 2015
Solvent Effects on Donor-Acceptor Couplings in Peptides. A Combined QM and MD Study
Frank Wallrapp, Alexander Voityuk, Victor Guallar
Advances in Protein Chemistry and Structural Biology
|
September 21, 2020
Mapping enzyme-substrate interactions: its potential to study the mechanism of enzymes
Sergi Roda, Gerard Santiago, Victor Guallar
Scientific Reports
|
August 18, 2017
Adaptive simulations, towards interactive protein-ligand modeling
Daniel Lecina, Joan F Gilabert, Victor Guallar
Journal of Chemical Theory and Computation
|
November 24, 2015
Exploration of Protein Conformational Change with PELE and Meta-Dynamics
Benjamin P Cossins, Ali Hosseini, Victor Guallar
Biochemistry
|
October 12, 2005
Molecular dynamics simulations of salicylate effects on the micro- and mesoscopic properties of a dipalmitoylphosphatidylcholine bilayer
Yuhua Song, Victor Guallar, Nathan A Baker
Journal of Computational Chemistry
|
November 4, 2009
Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility
Kenneth W Borrelli, Benjamin Cossins, Victor Guallar
Journal of Chemical Theory and Computation
|
November 19, 2015
Monte Carlo Free Ligand Diffusion with Markov State Model Analysis and Absolute Binding Free Energy Calculations
Ryoji Takahashi, Víctor A Gil, Victor Guallar
Bioinformatics (Oxford, England)
|
August 8, 2020
UEP: an open-source and fast classifier for predicting the impact of mutations in protein-protein complexes
Pep Amengual-Rigo, Juan Fernández-Recio, Victor Guallar
Journal of Computational Chemistry
|
May 10, 2016
Ecoupling server: A tool to compute and analyze electronic couplings
Israel Cabeza de Vaca, Sandra Acebes, Victor Guallar
Plos Computational Biology
|
April 5, 2013
In-silico assessment of protein-protein electron transfer. a case study: cytochrome c peroxidase--cytochrome c
Frank H Wallrapp, Alexander A Voityuk, Victor Guallar
Page
of 15
Search research articles
Search
Showing results (11-20 of 141) with videos related to
Sort By:
Page
of 15
Journal of Chemical Theory and Computation
|
November 26, 2015
Solvent Effects on Donor-Acceptor Couplings in Peptides. A Combined QM and MD Study
Frank Wallrapp, Alexander Voityuk, Victor Guallar
Advances in Protein Chemistry and Structural Biology
|
September 21, 2020
Mapping enzyme-substrate interactions: its potential to study the mechanism of enzymes
Sergi Roda, Gerard Santiago, Victor Guallar
Scientific Reports
|
August 18, 2017
Adaptive simulations, towards interactive protein-ligand modeling
Daniel Lecina, Joan F Gilabert, Victor Guallar
Journal of Chemical Theory and Computation
|
November 24, 2015
Exploration of Protein Conformational Change with PELE and Meta-Dynamics
Benjamin P Cossins, Ali Hosseini, Victor Guallar
Biochemistry
|
October 12, 2005
Molecular dynamics simulations of salicylate effects on the micro- and mesoscopic properties of a dipalmitoylphosphatidylcholine bilayer
Yuhua Song, Victor Guallar, Nathan A Baker
Journal of Computational Chemistry
|
November 4, 2009
Exploring hierarchical refinement techniques for induced fit docking with protein and ligand flexibility
Kenneth W Borrelli, Benjamin Cossins, Victor Guallar
Journal of Chemical Theory and Computation
|
November 19, 2015
Monte Carlo Free Ligand Diffusion with Markov State Model Analysis and Absolute Binding Free Energy Calculations
Ryoji Takahashi, Víctor A Gil, Victor Guallar
Bioinformatics (Oxford, England)
|
August 8, 2020
UEP: an open-source and fast classifier for predicting the impact of mutations in protein-protein complexes
Pep Amengual-Rigo, Juan Fernández-Recio, Victor Guallar
Journal of Computational Chemistry
|
May 10, 2016
Ecoupling server: A tool to compute and analyze electronic couplings
Israel Cabeza de Vaca, Sandra Acebes, Victor Guallar
Plos Computational Biology
|
April 5, 2013
In-silico assessment of protein-protein electron transfer. a case study: cytochrome c peroxidase--cytochrome c
Frank H Wallrapp, Alexander A Voityuk, Victor Guallar
Page
of 15