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A

Alexander J. Pak

Colorado School of Mines

H指数:30

被引数:2,929

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Probabilistic Forecasting for Coarse-Grained Molecular Dynamics

粗粒化分子动力学概率预测

Journal of Chemical Theory and Computation

IF5.5

2026-04-210

OA

Interactions of Common Synthesis Solvents with MOFs Studied via Free Energies of Solvation: Implications on Stability and Polymorph Selection

常见合成溶剂与MOFs的相互作用：基于溶剂化自由能的研究——对稳定性和多晶型选择的启示

Chemistry of Materials

IF7

2026-01-070

PRE

Machine Learning to Design Metal-Organic Frameworks: Progress and Challenges from a Data Efficiency Perspective

机器学习设计金属-有机框架：从数据效率角度的进展与挑战

IF0

2025-12-050

OAAI

Deciphering Self-Assembly Mechanisms of IRMOF-n-Inspired Three-Dimensional Cubic-Symmetry Nanoporous Crystals from Multiscale Simulations

解析受IRMOF-n启发的新型三维立方对称纳米多孔晶体的自组装机制：基于多尺度模拟研究

CHEMISTRY OF MATERIALS

IF7

2025-05-150

PRE

Molecular dynamics and machine learning stratify motion-dependent activity profiles of S-layer destabilizing nanobodies

IF3.8

2024-11-260

OAAI

Computational Prediction of Coiled-Coil Protein Gelation Dynamics and Structure (vol 25, pg 258, 2024)

BIOMACROMOLECULES

IF5.4

2024-04-170

OAAI

Computational Prediction of Coiled-Coil Protein Gelation Dynamics and Structure

BIOMACROMOLECULES

IF5.4

2023-12-189

OAAI

Critical mechanistic features of HIV-1 viral capsid assembly

SCIENCE ADVANCES

IF12.5

2023-01-0619

OAAI

Bottom-up Coarse-Graining: Principles and Perspectives

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-09-07139

OAAI

Inositol Hexakisphosphate (IP6) Accelerates Immature HIV-1 Gag Protein Assembly toward Kinetically Trapped Morphologies

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2022-06-0611

OAAI

Seipin transmembrane segments critically function in triglyceride nucleation and lipid droplet budding from the membrane

Seipin跨膜片段在甘油三酸酯成核和膜上的脂滴出芽中起关键作用

IF0

2022-05-1829

OA

Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core

NATURE COMMUNICATIONS

IF15.7

2022-02-2236

OAAI

Preservation of HIV-1 Gag Helical Bundle Symmetry by Bevirimat Is Central to Maturation Inhibition

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2021-11-0514

OAAI

A multiscale coarse-grained model of the SARS-CoV-2 virion

BIOPHYSICAL JOURNAL

IF3.1

2021-03-0193

OAAI

A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). II. Temperature transferability and structural properties at low temperature

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-01-2219

OAAI

A new one-site coarse-grained model for water: Bottom-up many-body projected water (BUMPer). I. General theory and model

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2021-01-2227

OAAI

Immature HIV-1 assembles from Gag dimers leaving partial hexamers at lattice edges as potential substrates for proteolytic maturation

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

IF9.1

2021-01-0432

OAAI

Lipid-Composition-Mediated Forces Can Stabilize Tubular Assemblies of I-BAR Proteins

BIOPHYSICAL JOURNAL

IF3.1

2021-01-0120

OAAI

A helical assembly of human ESCRT-I scaffolds reverse-topology membrane scission

NATURE STRUCTURAL & MOLECULAR BIOLOGY

IF10.1

2020-05-1839

OAAI

TRIM5α self-assembly and compartmentalization of the HIV-1 viral capsid

NATURE COMMUNICATIONS

IF15.7

2020-03-1159

OAAI