João P G L M Rodrigues (João Pglm Rodrigues)

Scopus Author ID ResearcherID Scopus Author ID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 17

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

Proteins

PLoS computational biology

Stanford University

Universiteit Utrecht (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Stanford University Jan 01 2016

United States

Postdoctoral Researcher :: Structural Biology

Stanford University School of Medicine

United States

Guest Researcher :: Structural Biology

Education History

Universiteit Utrecht Oct 15 2010 - Dec 12 2014

Netherlands

PHD :: Bijvoet Center for Biomolecular Research

Universiteit Utrecht

Netherlands

MSC

Universidade de Coimbra

Portugal

BSC :: FCTUC - Dept. de Bioquímica

Publications

Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B 128 (1) (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B 128 (1) (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B 128 (1) (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B 128 (1) (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B 128 (1) (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation. Journal of chemical theory and computation (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation. Journal of chemical theory and computation 20 (1) (2023)
Dilek Coskun, Muyun Lihan, João P G L M Rodrigues, Márton Vass, Daniel Robinson, Richard A Friesner, Edward B Miller
Using AlphaFold and Experimental Structures for the Prediction of the Structure and Binding Affinities of GPCR Complexes via Induced Fit Docking and Free Energy Perturbation. Journal of chemical theory and computation 20 (1) (2023)
Peter Eastman, Raimondas Galvelis, Raul P Pelaez, Charlles R A Abreu, Stephen E Farr, Emilio Gallicchio, Anton Gorenko, Michael M Henry, Frank Hu, Jing Huang, Andreas Krämer, Julien Michel, Joshua A Mitchell, Vijay S Pande, João P G L M Rodrigues, Jaime Rodríguez-Guerra Pedregal, Andrew C Simmonett, Sukrit Singh, Jason Swails, Philip Turner, Yuanqing Wang, Ivy Zhang, John D Chodera, Gianni De Fabritiis, Thomas E Markland
OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials. The journal of physical chemistry. B 128 (1) (2023)
Ilya R Fischhoff, Adrian A Castellanos, João P G L M Rodrigues, Darren P Martin, Barbara A Han
Predicting the zoonotic capacity of mammals to transmit SARS-CoV-2. Proceedings. Biological sciences 288 (1963) (2021)
Marija Sorokina, João M C Teixeira, Susana Barrera-Vilarmau, Reinhard Paschke, Ioannis Papasotiriou, João P G L M Rodrigues, Panagiotis L Kastritis
Structural models of human ACE2 variants with SARS-CoV-2 Spike protein for structure-based drug design. Scientific data 7 (1) (2020)
João P G L M Rodrigues, Susana Barrera-Vilarmau, João M C Teixeira, Marija Sorokina, Elizabeth Seckel, Panagiotis L Kastritis, Michael Levitt
Insights on cross-species transmission of SARS-CoV-2 from structural modeling. PLoS computational biology 16 (12) (2020)
João P G L M Rodrigues, Susana Barrera-Vilarmau, João M C Teixeira, Elizabeth Seckel, Panagiotis L Kastritis, Michael Levitt
Insights on cross-species transmission of SARS-CoV-2 from structural modeling. bioRxiv : the preprint server for biology (2020)
Brian Jiménez-García, João M C Teixeira, Mikael E Trellet, João P G L M Rodrigues, Alexandre M J J Bonvin
PDB-tools web: A user-friendly interface for the manipulation of PDB files. Proteins 89 (3) (2020)
João P G L M Rodrigues, João M C Teixeira, Mikaël Trellet, Alexandre M J J Bonvin
pdb-tools: a swiss army knife for molecular structures. F1000Research 7 (2018)

João P G L M Rodrigues.css-eqlu8i{font-size:small;padding-left:4px;} (João Pglm Rodrigues)

Publication Activity (10 Years)

Top Topics

Top Venues

João P G L M Rodrigues (João Pglm Rodrigues)