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Volume 60; Issue 4
Main
Journal of Chemical Information and Modeling
Volume 60; Issue 4
Journal of Chemical Information and Modeling
Volume 60; Issue 4
1
Best Practices in Utilization of 2D-NMR Spectral Data as the Input for Chemometric Analysis in Biopharmaceutical Applications
Brinson, Robert G.
,
Arbogast, Luke W.
,
Marino, John P.
,
Delaglio, Frank
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 5.13 MB
Your tags:
2020
2
A New Machine-Learning Tool for Fast Estimation of Liquid Viscosity. Application to Cosmetic Oils
Goussard, Valentin
,
Duprat, François
,
Ploix, Jean-Luc
,
Dreyfus, Gérard
,
Nardello-Rataj, Véronique
,
Aubry, Jean-Marie
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 866 KB
Your tags:
2020
3
Neural Message Passing for NMR Chemical Shift Prediction
Kwon, Youngchun
,
Lee, Dongseon
,
Choi, Youn-Suk
,
Kang, Myeonginn
,
Kang, Seokho
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 1.64 MB
Your tags:
2020
4
On the Thermal Stability of O 6 -Methylguanine-DNA Methyltransferase from Archaeon Pyrococcus kodakaraensis by Molecular Dynamics Simulations
López-Chávez, Erick
,
Pérez-Hernández, Gerardo
,
Aparicio, Felipe
,
Alas, Salomón J.
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 9.47 MB
Your tags:
2020
5
Simulation Foundry: Automated and F.A.I.R. Molecular Modeling
Gygli, Gudrun
,
Pleiss, Juergen
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 1.11 MB
Your tags:
2020
6
Improving ProteinâPeptide Docking Results via Pose-Clustering and Rescoring with a Combined Knowledge-Based and MMâGBSA Scoring Function
Tao, Huanyu
,
Zhang, Yanjun
,
Huang, Sheng-You
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 3.35 MB
Your tags:
2020
7
TeroKit: A Database-Driven Web Server for Terpenome Research
Zeng, Tao
,
Liu, Zhihong
,
Zhuang, Jingyuan
,
Jiang, Yitao
,
He, Wengan
,
Diao, Hongjuan
,
Lv, Nan
,
Jian, Yongxing
,
Liang, Danhong
,
Qiu, Yufan
,
Zhang, Rong
,
Zhang, Fan
,
Tang, Xiaowen
,
Wu, Ruibo
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 1.19 MB
Your tags:
2020
8
TeraChem Cloud: A High-Performance Computing Service for Scalable Distributed GPU-Accelerated Electronic Structure Calculations
Seritan, Stefan
,
Thompson, Keiran
,
MartÃnez, Todd J.
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 1.68 MB
Your tags:
2020
9
Rapid Identification of X-ray Diffraction Patterns Based on Very Limited Data by Interpretable Convolutional Neural Networks
Wang, Hong
,
Xie, Yunchao
,
Li, Dawei
,
Deng, Heng
,
Zhao, Yunxin
,
Xin, Ming
,
Lin, Jian
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 2.01 MB
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2020
10
Modeling the Sterol-Binding Domain of Aster-A Provides Insight into Its Multiligand Specificity
Moesgaard, Laust
,
Reinholdt, Peter
,
Wüstner, Daniel
,
Kongsted, Jacob
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 7.89 MB
Your tags:
2020
11
Basin Hopping Genetic Algorithm for Global Optimization of PtCo Clusters
Huang, Rao
,
Bi, Jian-Xiang
,
Li, Lei
,
Wen, Yu-Hua
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 3.08 MB
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2020
12
Issue Publication Information
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 163 KB
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2020
13
Issue Editorial Masthead
Journal:
Journal of Chemical Information and Modeling
Year:
2020
File:
PDF, 133 KB
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2020
1
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