Search research articles
Contact Us
Filters
Showing results (1-10 of 18) with videos related to
Page
of 2
Sort By:
Future Medicinal Chemistry
|
January 17, 2019
Energy windows for computed compound conformers: covering artefacts or truly large reorganization energies?
Nicolas Foloppe, I-Jen Chen
Current Medicinal Chemistry
|
June 12, 2009
Conformational sampling and energetics of drug-like molecules
Nicolas Foloppe, I-Jen Chen
Journal of Chemical Information and Modeling
|
April 29, 2010
Drug-like bioactive structures and conformational coverage with the LigPrep/ConfGen suite: comparison to programs MOE and catalyst
I-Jen Chen, Nicolas Foloppe
Bioorganic & Medicinal Chemistry
|
April 11, 2016
Towards understanding the unbound state of drug compounds: Implications for the intramolecular reorganization energy upon binding
Nicolas Foloppe, I-Jen Chen
Bioorganic & Medicinal Chemistry
|
November 19, 2021
The reorganization energy of compounds upon binding to proteins, from dynamic and solvated bound and unbound states
Nicolas Foloppe, I-Jen Chen
Journal of Chemical Information and Modeling
|
September 4, 2008
Conformational sampling of druglike molecules with MOE and catalyst: implications for pharmacophore modeling and virtual screening
I-Jen Chen, Nicolas Foloppe
Bioorganic & Medicinal Chemistry
|
November 5, 2013
Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery
I-Jen Chen, Nicolas Foloppe
Journal of Computer-Aided Molecular Design
|
June 5, 2009
Lessons for fragment library design: analysis of output from multiple screening campaigns
I-Jen Chen, Roderick E Hubbard
Current Drug Targets. Infectious Disorders
|
December 5, 2002
Structure-based inhibitor design targeting HIV-1 integrase
I-Jen Chen, Nouri Neamati, Alexander D MacKerell
Journal of Computational Chemistry
|
April 2, 2002
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds
I Jen Chen, Daxu Yin, Alexander D MacKerell
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Future Medicinal Chemistry
|
January 17, 2019
Energy windows for computed compound conformers: covering artefacts or truly large reorganization energies?
Nicolas Foloppe, I-Jen Chen
Current Medicinal Chemistry
|
June 12, 2009
Conformational sampling and energetics of drug-like molecules
Nicolas Foloppe, I-Jen Chen
Journal of Chemical Information and Modeling
|
April 29, 2010
Drug-like bioactive structures and conformational coverage with the LigPrep/ConfGen suite: comparison to programs MOE and catalyst
I-Jen Chen, Nicolas Foloppe
Bioorganic & Medicinal Chemistry
|
April 11, 2016
Towards understanding the unbound state of drug compounds: Implications for the intramolecular reorganization energy upon binding
Nicolas Foloppe, I-Jen Chen
Bioorganic & Medicinal Chemistry
|
November 19, 2021
The reorganization energy of compounds upon binding to proteins, from dynamic and solvated bound and unbound states
Nicolas Foloppe, I-Jen Chen
Journal of Chemical Information and Modeling
|
September 4, 2008
Conformational sampling of druglike molecules with MOE and catalyst: implications for pharmacophore modeling and virtual screening
I-Jen Chen, Nicolas Foloppe
Bioorganic & Medicinal Chemistry
|
November 5, 2013
Tackling the conformational sampling of larger flexible compounds and macrocycles in pharmacology and drug discovery
I-Jen Chen, Nicolas Foloppe
Journal of Computer-Aided Molecular Design
|
June 5, 2009
Lessons for fragment library design: analysis of output from multiple screening campaigns
I-Jen Chen, Roderick E Hubbard
Current Drug Targets. Infectious Disorders
|
December 5, 2002
Structure-based inhibitor design targeting HIV-1 integrase
I-Jen Chen, Nouri Neamati, Alexander D MacKerell
Journal of Computational Chemistry
|
April 2, 2002
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compounds
I Jen Chen, Daxu Yin, Alexander D MacKerell
Page
of 2