Jose Duca - Dissemin

Language
Login

All papers authored by Jose Duca

This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2022 Alexios Chatzigoulas, Ioannis Andreadelis, Stefan Doerr, Christos Lamprakis, Anastasia Theodoropoulou, John Manchester, Camilo Velez-Vega, Jose Duca

ORCID

, Zoe Cournia

Evaluation of K-Ras4B dimer interfaces and the role of Raf effectors

Upload

This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2021 Hongbin Wan, Vibhas Aravamuthan, Sarah Williams, Charles Wartchow, José S. Duca

ORCID

, Robert A. Pearlstein

Solvation dynamics-powered structure and function of multi-molecular cellular systems exemplified by non-equilibrium cereblon-degrader-CK1α ternary complex formation

Upload

This paper was not found in any repository, but could be made available legally by the author.

Christos Lamprakis, Ioannis Andreadelis, John Manchester, Camilo Velez-Vega, José S. Duca

ORCID

ORCID

Evaluating the Efficiency of the Martini Force Field to Study Protein Dimerization in Aqueous and Membrane Environments

Upload

This paper is made freely available by the publisher.

Anna Pavlova

ORCID

, Diane L. Lynch, Isabella Daidone

ORCID

, Laura Zanetti-Polzi

ORCID

, Micholas Dean Smith, Chris Chipot, Daniel W. Kneller

ORCID

, Andrey Kovalevsky

ORCID

, Leighton Coates

ORCID

, Andrei A. Golosov, Callum J. Dickson, Jeremy C. Smith, Camilo Velez-Vega, Jose S. Duca

ORCID

, Josh V. Vermaas

ORCID

and 5 other authors

Inhibitor binding influences the protonation states of histidines in SARS-CoV-2 main protease

Download from pubs.rsc.org

This paper was not found in any repository, but could be made available legally by the author.

2019 Callum J. Dickson

ORCID

, Camilo Velez-Vega, Jose S. Duca

ORCID

Revealing Molecular Determinants of hERG Blocker and Activator Binding

Upload

This paper is made freely available by the publisher.

Petra Schneider, W. Patrick Walters, Alleyn T. Plowright, Norman Sieroka, Jennifer Listgarten

ORCID

, Robert A. Goodnow, Jasmin Fisher

ORCID

, Johanna M. Jansen, José S. Duca

ORCID

, Thomas S. Rush, Matthias Zentgraf, John Edward Hill, Elizabeth Krutoholow, Matthias Kohler, Jeff Blaney and 3 other authors

Rethinking drug design in the artificial intelligence era

Download from www.nature.com

This paper is made freely available by the publisher.

Keith Jendza, Mitsunori Kato

ORCID

, Michael Salcius, Honnappa Srinivas, Andrea De Erkenez, Anh Nguyen, Doug McLaughlin, Celine Be, Christian Wiesmann, Jason Murphy, Philippe Bolduc, Muneto Mogi, Jose Duca

ORCID

, Abdel Namil, Michael Capparelli and 12 other authors

A small-molecule inhibitor of C5 complement protein

Download from www.nature.com

This paper is made freely available by the publisher.

Lieyang Chen

ORCID

ORCID

, Steven Ramsey, Callum J. Dickson, José S S. Duca

ORCID

, Viktor Hornak, David R. Koes, Tom Kurtzman

ORCID

Hidden Bias in the DUD-E Dataset Leads to Misleading Performance of Deep Learning in Structure-Based Virtual Screening

Download from doi.org

This paper was not found in any repository, but could be made available legally by the author.

2018 José Jiménez

ORCID

, Davide Sabbadin, Alberto Cuzzolin, Gerard Martínez-Rosell, Jacob Gora, John Manchester, José Duca

ORCID

, Gianni De Fabritiis

ORCID

PathwayMap: Molecular Pathway Association with Self-Normalizing Neural Networks

Upload

This paper was not found in any repository, but could be made available legally by the author.

Callum J. Dickson

ORCID

, Viktor Hornak, Dallas Bednarczyk, Jose S. Duca

ORCID

Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules

Upload

This paper was not found in any repository, but could be made available legally by the author.

2017 Robert A. Pearlstein, Daniel J. J. McKay, Viktor Hornak, Callum Dickson, Andrei Golosov, Tyler Harrison, Camilo Velez-Vega, José Duca

ORCID

Building New Bridges between In Vitro and In Vivo in Early Drug Discovery: Where Molecular Modeling Meets Systems Biology

Upload

This paper was not found in any repository, but could be made available legally by the author.

Xin Chen

ORCID

, John Giraldes, Elizabeth R. Sprague, Subarna Shakya, Zhuoliang Chen, Yaping Wang, Carol Joud, Simon Mathieu, Christine Hiu-Tung Chen, Christopher Straub, Jose Duca

ORCID

, Kristen Hurov, Yanqiu Yuan, Wenlin Shao, B. Barry Touré

“Addition” and “Subtraction”: Selectivity Design for Type II Maternal Embryonic Leucine Zipper Kinase Inhibitors

Upload

Distributing this paper is prohibited by the publisher

2016 Callum J. Dickson

ORCID

, Viktor Hornak, Robert A. Pearlstein, Jose S. Duca

ORCID

Structure-kinetic relationships of passive membrane permeation from multiscale modeling

Upload

This paper was not found in any repository, but could be made available legally by the author.

Bradley Sherborne, Veerabahu Shanmugasundaram

ORCID

, Alan C. Cheng, Clara D. Christ, Renee L. DesJarlais, Jose S. Duca

ORCID

, Richard A. Lewis, Deborah A. Loughney, Eric S. Manas, Georgia B. McGaughey, Catherine E. Peishoff, Herman van Vlijmen

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery

Upload

This paper was not found in any repository, but could be made available legally by the author.

Callum J. Dickson, Viktor Hornak, Camilo Velez-Vega, Daniel J. J. McKay, John Reilly, David A. Sandham, Duncan Shaw, Robin A. Fairhurst, Steven J. Charlton, David A. Sykes, Robert A. Pearlstein, Jose S. Duca

ORCID

Uncoupling the Structure–Activity Relationships of β2 Adrenergic Receptor Ligands from Membrane Binding

Upload

This paper was not found in any repository, but could be made available legally by the author.

B. Barry Touré, John Giraldes, Troy Smith, Elizabeth R. Sprague, Yaping Wang, Simon Mathieu, Zhuoliang Chen, Yuji Mishina, Yun Feng, Yan Yan-Neale, Subarna Shakya, Dongshu Chen, Matthew Meyer, David Puleo, J. Tres Brazell and 11 other authors

Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight

Upload

This paper was not found in any repository, but could be made available legally by the author.

Robert A. Pearlstein, Robert Pearlstein, K. Andrew MacCannell, Gül Erdemli, Sarita Yeola, Gabriel Helmlinger, Qi-Ying Hu, Ramy Farid, William Egan, Steven Whitebread, Clayton Springer, Jeremy Beck, Hao-Ran Wang, Mateusz Maciejewski, Laszlo Urban and 2 other authors

Implications of Dynamic Occupancy, Binding Kinetics, and Channel Gating Kinetics for hERG Blocker Safety Assessment and Mitigation

Upload

This paper is available in a repository.

2015 Camilo Velez-Vega, Daniel J. J. McKay, Tom Kurtzman, Vibhas Aravamuthan, Robert A. Pearlstein, José S. Duca

ORCID

Estimation of Solvation Entropy and Enthalpy via Analysis of Water Oxygen–Hydrogen Correlations

Download from www.lehman.edu

This paper is made freely available by the publisher.

A. Becker-Heck, A. Bizet, R. Ryan, P. Krug, E. Filhol, B. Linghu, E. Oakeley, F. Serluca, F. Legendre, N. Dörner, Mc Lasbennes, J. Duca

ORCID

, F. Yang, A. Damask, L. Klickstein and 19 other authors

Identification of human mutations in TRAF3IP1 in patients with nephronophthisis and retinal degeneration

Download from link.springer.com

This paper is available in a repository.

Syed Sohail Ahmed, Ahmed Ss, Wayne Volkmuth, Jose Duca

ORCID

, Lorenzo Corti, Michele Pallaoro, Alfredo Pezzicoli, Anette Karle, Fabio Rigat, Rino Rappuoli, Vas Narasimhan, Ilkka Julkunen, Arja Vuorela, Outi Vaarala, Hanna Nohynek and 8 other authors

Antibodies to influenza nucleoprotein cross-react with human hypocretin receptor 2

Download from www.researchgate.net

Missing publications? Search for publications with a matching author name.