Atomistic modeling of protein-ligand binding: Successes, limitations, and opportunities

被引：0

作者：

Abel, Robert ^{[1
]}

Wang, Lingle ^{[1
]}

Harder, Edward ^{[1
]}

Bhat, Sathesh ^{[1
]}

Konze, Kyle ^{[1
]}

Leswing, Karl ^{[1
]}

Bos, Pieter ^{[1
]}

Dahlgren, Markus ^{[1
]}

Yu, Haoyu ^{[2
]}

Ross, Gregory ^{[1
]}

机构：

[1] Schrodinger Inc, New York, NY USA

[2] Schrodinger Inc, Ft Lee, NJ USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 257卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

103

引用

页数：1

共 50 条

[31] EvoDock: Optimization of protein-ligand binding interfaces
Edich, M.
Friedrichs, M.
ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2021, 77 : C695 - C695
[32] Protein-ligand binding detected by terahertz spectroscopy
Knab, J
Chen, JY
Markelz, A
BIOPHYSICAL JOURNAL, 2004, 86 (01) : 84A - 84A
[33] A NEW MEASURE OF COOPERATIVITY IN PROTEIN-LIGAND BINDING
BRIGGS, WE
BIOPHYSICAL CHEMISTRY, 1983, 18 (01) : 67 - 71
[34] Quantitative predictions of protein-ligand binding affinities
Mobley, David L.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 237
[35] ANALYSIS OF PROTEIN-LIGAND BINDING USING HPLC
SANNY, C
PRICE, J
MCCLAIN, O
FASEB JOURNAL, 1993, 7 (07): : A1280 - A1280
[36] An assessment of protein-ligand binding site polarizability
Nayeem, A
Krystek, S
Stouch, T
BIOPOLYMERS, 2003, 70 (02) : 201 - 211
[37] Databases of ligand-binding pockets and protein-ligand interactions
Carpenter, Kristy A.
Altman, Russ B.
COMPUTATIONAL AND STRUCTURAL BIOTECHNOLOGY JOURNAL, 2024, 23 : 1320 - 1338
[38] FABind: Fast and Accurate Protein-Ligand Binding
Pei, Qizhi
Gao, Kaiyuan
Wu, Lijun
Zhu, Jinhua
Xia, Yingce
Xie, Shufang
Qin, Tao
He, Kun
Liu, Tie-Yan
Yan, Rui
ADVANCES IN NEURAL INFORMATION PROCESSING SYSTEMS 36 (NEURIPS 2023), 2023,
[39] Computational Multiscale Modeling in Protein-Ligand Docking
Taufer, Michela
Armen, Roger S.
Chen, Jianhan
Teller, Patricia J.
Brooks, Charles L., III
IEEE ENGINEERING IN MEDICINE AND BIOLOGY MAGAZINE, 2009, 28 (02): : 58 - 69
[40] Variation of protein binding cavity volume and ligand volume in protein-ligand complexes
Saranya, N.
Selvaraj, S.
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2009, 19 (19) : 5769 - 5772

← 1 2 3 4 5 →