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1
Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study
Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study
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Temperature-Induced Phase Transition in 2D Alkylammonium Lead Halide Perovskites: A Molecular Dynamics Study

Gao, Wei

figshare 2024

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2
Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activity
Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activity
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Computational analysis of bevacizumab binding with protein receptors for its potential anticancer activity

Alsakhen, Nada ; Radwan, Enas S. ; Zafer, Imran ; alfattah, Husam Abed ; Shamkh, Israa M. ; Rehman, Md Tabish ; Shahwan, Moayad ; Khan, Khalid Ali ; Ahmed, Shimaa A.

Taylor & Francis 2024

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3
RTCNN Performance (CASF 2016 pose rank benchmark)
RTCNN Performance (CASF 2016 pose rank benchmark)
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RTCNN Performance (CASF 2016 pose rank benchmark)

Raush, Eugene ; Totrov, Max

figshare 2023

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4
Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design
Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design
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Hydrogen Bond Donor-Acceptor Asymmetries in Drug Design

Kenny, Peter W

figshare 2023

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5
Polarity from the perspective of aqueous solvation
Polarity from the perspective of aqueous solvation
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Polarity from the perspective of aqueous solvation

Kenny, Peter W

figshare 2023

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6
Targeting BRF2: insights from in silico screening and molecular dynamic simulations
Targeting BRF2: insights from in silico screening and molecular dynamic simulations
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Targeting BRF2: insights from in silico screening and molecular dynamic simulations

Rathore, Anuranjan Singh ; Gupta, Krishna Kant ; Govindaraj, Senthil Kumar ; Ajmani, Abhishek ; Arivalagan, Jaison ; Anto, Ruby John ; Kalishwaralal, Kalimuthu ; Chandran, Sam Aldrin

Taylor & Francis 2023

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7
Suppl Video 1.avi
Suppl Video 1.avi
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Suppl Video 1.avi

Villalba Isabel, Nuria ; Freeman, Kalev

figshare 2022

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8
Support movie 1.mp4 from The effect of promoting hydrogen bond aggregation based on PEMTC on the mechanical properties and shape memory function of polyurethane elastomers
Support movie 1.mp4 from The effect of promoting hydrogen bond aggregation based on PEMTC on the mechanical properties and shape memory function of polyurethane elastomers
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Support movie 1.mp4 from The effect of promoting hydrogen bond aggregation based on PEMTC on the mechanical properties and shape memory function of polyurethane elastomers

Wang, Muqun ; Liang, Shaofeng ; Gao, Wei ; Qin, Yuxuan

The Royal Society 2022

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9
Support movie 2.mp4 from The effect of promoting hydrogen bond aggregation based on PEMTC on the mechanical properties and shape memory function of polyurethane elastomers
Support movie 2.mp4 from The effect of promoting hydrogen bond aggregation based on PEMTC on the mechanical properties and shape memory function of polyurethane elastomers
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Support movie 2.mp4 from The effect of promoting hydrogen bond aggregation based on PEMTC on the mechanical properties and shape memory function of polyurethane elastomers

Wang, Muqun ; Liang, Shaofeng ; Gao, Wei ; Qin, Yuxuan

The Royal Society 2022

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10
Hydrogen bond donors in drug design
Hydrogen bond donors in drug design
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Hydrogen bond donors in drug design

Kenny, Peter

figshare 2021

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