Search research articles
Contact Us
Filters
Showing results (111-120 of 153) with videos related to
Page
of 16
Sort By:
Journal of Computer-Aided Molecular Design
|
September 24, 2016
Overview of the SAMPL5 host-guest challenge: Are we doing better?
Jian Yin, Niel M Henriksen, David R Slochower, et al.
Bioorganic & Medicinal Chemistry Letters
|
June 29, 2013
3-Aryl-3-arylmethoxyazetidines. A new class of high affinity ligands for monoamine transporters
Amber Thaxton, Sari Izenwasser, Dean Wade, et al.
Journal of Medicinal Chemistry
|
January 25, 2008
Predicting small-molecule solvation free energies: an informal blind test for computational chemistry
Anthony Nicholls, David L Mobley, J Peter Guthrie, et al.
Journal of Computer-Aided Molecular Design
|
October 29, 2021
Automated high throughput pK<sub>a</sub> and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Matthew N Bahr, Aakankschit Nandkeolyar, John K Kenna, et al.
Chemmedchem
|
October 14, 2022
Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods
Marko Breznik, Yunhui Ge, Joseph P Bluck, et al.
Journal of Computer-Aided Molecular Design
|
June 25, 2021
Evaluation of log P, pK<sub>a</sub>, and log D predictions from the SAMPL7 blind challenge
Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, et al.
Journal of Computer-Aided Molecular Design
|
October 28, 2016
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
Michael R Shirts, Christoph Klein, Jason M Swails, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2017
Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
Michael R Shirts, Christoph Klein, Jason M Swails, et al.
Journal of Chemical Theory and Computation
|
December 5, 2018
Toward Learned Chemical Perception of Force Field Typing Rules
Camila Zanette, Caitlin C Bannan, Christopher I Bayly, et al.
The Journal of Physical Chemistry. B
|
March 1, 2018
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo
Samuel C Gill, Nathan M Lim, Patrick B Grinaway, et al.
Page
of 16
Search research articles
Search
Showing results (111-120 of 153) with videos related to
Sort By:
Page
of 16
Journal of Computer-Aided Molecular Design
|
September 24, 2016
Overview of the SAMPL5 host-guest challenge: Are we doing better?
Jian Yin, Niel M Henriksen, David R Slochower, et al.
Bioorganic & Medicinal Chemistry Letters
|
June 29, 2013
3-Aryl-3-arylmethoxyazetidines. A new class of high affinity ligands for monoamine transporters
Amber Thaxton, Sari Izenwasser, Dean Wade, et al.
Journal of Medicinal Chemistry
|
January 25, 2008
Predicting small-molecule solvation free energies: an informal blind test for computational chemistry
Anthony Nicholls, David L Mobley, J Peter Guthrie, et al.
Journal of Computer-Aided Molecular Design
|
October 29, 2021
Automated high throughput pK<sub>a</sub> and distribution coefficient measurements of pharmaceutical compounds for the SAMPL8 blind prediction challenge
Matthew N Bahr, Aakankschit Nandkeolyar, John K Kenna, et al.
Chemmedchem
|
October 14, 2022
Prioritizing Small Sets of Molecules for Synthesis through in-silico Tools: A Comparison of Common Ranking Methods
Marko Breznik, Yunhui Ge, Joseph P Bluck, et al.
Journal of Computer-Aided Molecular Design
|
June 25, 2021
Evaluation of log P, pK<sub>a</sub>, and log D predictions from the SAMPL7 blind challenge
Teresa Danielle Bergazin, Nicolas Tielker, Yingying Zhang, et al.
Journal of Computer-Aided Molecular Design
|
October 28, 2016
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
Michael R Shirts, Christoph Klein, Jason M Swails, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2017
Erratum to: Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
Michael R Shirts, Christoph Klein, Jason M Swails, et al.
Journal of Chemical Theory and Computation
|
December 5, 2018
Toward Learned Chemical Perception of Force Field Typing Rules
Camila Zanette, Caitlin C Bannan, Christopher I Bayly, et al.
The Journal of Physical Chemistry. B
|
March 1, 2018
Binding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo
Samuel C Gill, Nathan M Lim, Patrick B Grinaway, et al.
Page
of 16