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Journal of Chemical Information and Modeling
|
March 4, 2021
Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series
Richard S Hong, Alessandra Mattei, Ahmad Y Sheikh, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 6, 2023
Absolute Configuration Determination of Chiral API Molecules by MicroED Analysis of Cocrystal Powders Formed Based on Cocrystal Propensity Prediction Calculations
Harsh S Shah, Jiuchuang Yuan, Tian Xie, et al.
Molecular Pharmaceutics
|
July 25, 2024
Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid)
Maryam Sadat Sadeghi, Rui Guo, Michael A Bellucci, et al.
Journal of Chemical Theory and Computation
|
December 29, 2023
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
Bai Xue, Qingyi Yang, Qiaochu Zhang, et al.
Crystal Growth & Design
|
January 12, 2026
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
William P Wood, Mihails Arhangelskis, Erika Bartůňková, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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of 3
Search research articles
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Showing results (21-30 of 27) with videos related to
Sort By:
Page
of 3
You have reached the last page of results.
This site can display upto 27 results.
Journal of Chemical Information and Modeling
|
March 4, 2021
Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series
Richard S Hong, Alessandra Mattei, Ahmad Y Sheikh, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 6, 2023
Absolute Configuration Determination of Chiral API Molecules by MicroED Analysis of Cocrystal Powders Formed Based on Cocrystal Propensity Prediction Calculations
Harsh S Shah, Jiuchuang Yuan, Tian Xie, et al.
Molecular Pharmaceutics
|
July 25, 2024
Tale of Two Polymorphs: Investigating the Structural Differences and Dynamic Relationship between Nirmatrelvir Solid Forms (Paxlovid)
Maryam Sadat Sadeghi, Rui Guo, Michael A Bellucci, et al.
Journal of Chemical Theory and Computation
|
December 29, 2023
Development and Comprehensive Benchmark of a High-Quality AMBER-Consistent Small Molecule Force Field with Broad Chemical Space Coverage for Molecular Modeling and Free Energy Calculation
Bai Xue, Qingyi Yang, Qiaochu Zhang, et al.
Crystal Growth & Design
|
January 12, 2026
BEST-CSP Benchmark Study of Polymorphs I and II of Sulfamerazine and the Perils of Polytype Polymorphs
William P Wood, Mihails Arhangelskis, Erika Bartůňková, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods
Lily M Hunnisett, Nicholas Francia, Jonas Nyman, et al.
Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials
|
October 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods
Lily M Hunnisett, Jonas Nyman, Nicholas Francia, et al.
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of 3