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P

Piero Procacci

university of florence

42H指数
204论文数
5.2K被引数
收录论文 81
发表时间
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PrimaDORAC: An improved Web Interface for Rapid GAFF2 Parameter Assignment with ABCG2 Charge Models for Drug Design ApplicationsPrimaDORAC：一种改进的Web界面，用于药物设计应用中基于ABCG2电荷模型的快速GAFF2参数分配
errJournal of Computational Chemistry
IF4.8
err2026-08-14
err0
errOAAI
errPiero Procacci
err分享
err收藏
Fluorinated Alcohol Biosolvents and α-Helix Peptide Secondary Structure: A Molecular Dynamics Study on the Solvent Concentration Effect氟化醇生物溶剂与α-螺旋肽二级结构：溶剂浓度效应的分子动力学研究
errLiquids
IF0
err2026-01-23
err0
PREAI
errCasoria, Michele; Pagliai, Marco; Andreini, Claudia; Papini, Anna Maria; Procacci, Piero; Macchiagodena, Marina
err分享
err收藏
Achieving Chemical Accuracy in Cyclodextrin Host–Guest Binding via Integrative Atomistic Modelling通过整合原子模拟实现环糊精主-客体结合的化学精度
errAdvanced Science
IF14.1
err2025-12-14
err0
errOAAI
errXiaohui Wang; Linqiong Qiu; Hongyu Wang; Wenting Tang; Jiayang Leng; John Z. H. Zhang; Piero Procacci; Zhaoxi Sun
err分享
err收藏
PDBrestore: A Free Web Interface for Processing and Fixing Protein Chains From Raw PDB FilesPDBrestore：一个用于处理和修复来自原始PDB文件中蛋白质链的免费网页界面
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2025-05-14
err0
errOAAI
errProcacci, P
err分享
err收藏
Antiproliferative Role of Natural and Semi-Synthetic Tocopherols on Colorectal Cancer Cells Overexpressing the Estrogen Receptor β天然和半合成生育酚对过表达雌激素受体β的结直肠癌细胞增殖的抑制作用
errINTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
IF4.9
err2025-03-05
err0
errOAAI
errFalsetti, Irene; Palmini, Gaia; Zonefrati, Roberto; Vasa, Kristian; Donati, Simone; Aurilia, Cinzia; Baroncelli, Allegra; Viglianisi, Caterina; Ranaldi, Francesco; Iantomasi, Teresa; Procacci, Piero; Menichetti, Stefano; Brandi, Maria Luisa
err分享
err收藏
Identification of Potential Inhibitors of the SARS-CoV-2 NSP13 Helicase via Structure-Based Ligand Design, Molecular Docking and Nonequilibrium Alchemical Simulations
errCHEMMEDCHEM
IF3.4
err2024-03-25
err1
errOAAI
errDi Paco, Giorgio; Macchiagodena, Marina; Procacci, Piero
err分享
err收藏
Dealing with Induced Fit, Conformational Selection, and Secondary Poses in Molecular Dynamics Simulations for Reliable Free Energy Predictions
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-12-01
err3
errOAAI
errProcacci, Piero
err分享
err收藏
SAMPL9 blind predictions for toluene/water partition coefficients using nonequilibrium alchemical approaches
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-28
err3
errOAAI
errProcacci, Piero; Guarnieri, Guido
err分享
err收藏
NE-RDFE: A protocol and toolkit for computing relative dissociation free energies with GROMACS between dissimilar molecules using bidirectional nonequilibrium dual topology schemes
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-01-27
err2
errOAAI
errMacchiagodena, Marina; Pagliai, Marco; Procacci, Piero
err分享
err收藏
Does Hamiltonian Replica Exchange via Lambda-Hopping Enhance the Sampling in Alchemical Free Energy Calculations?
errMOLECULES
IF4.6
err2022-07-11
err5
errOAAI
errProcacci, Piero
err分享
err收藏
Relative Binding Free Energy between Chemically Distant Compounds Using a Bidirectional Nonequilibrium Approach
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-06-01
err6
errOAAI
errProcacci, Piero
err分享
err收藏
SAMPL9 blind predictions using nonequilibrium alchemical approaches
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-27
err10
errOAAI
errProcacci, Piero; Guarnieri, Guido
err分享
err收藏
Virtual Double-System Single-Box for Absolute Dissociation Free Energy Calculations in GROMACS
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2021-11-01
err15
errOAAI
errMacchiagodena, Marina; Karrenbrock, Maurice; Pagliai, Marco; Procacci, Piero
err分享
err收藏
On the NS-DSSB unidirectional estimates in the SAMPL6 SAMPLing challenge
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-10-09
err6
errOAAI
errProcacci, Piero; Macchiagodena, Marina
err分享
err收藏
Binding free energy predictions in host-guest systems using Autodock4. A retrospective analysis on SAMPL6, SAMPL7 and SAMPL8 challenges
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-05-24
err13
errOAAI
errCasbarra, Lorenzo; Procacci, Piero
err分享
err收藏
Methodological uncertainties in drug-receptor binding free energy predictions based on classical molecular dynamics Piero Procacci
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2021-04-01
err18
errOAAI
errProcacci, Piero
err分享
err收藏
Mycotoxins aptasensing: From molecular docking to electrochemical detection of deoxynivalenol霉菌毒素感应: 从分子对接到脱氧雪腐镰刀菌烯醇的电化学检测
errBIOELECTROCHEMISTRY
IF4.5
err2021-04-01
err33
PREAI
errSubak, Hasret; Selvolini, Giulia; Macchiagodena, Marina; Ozkan-Ariksoysal, Dilsat; Pagliai, Marco; Procacci, Piero; Marrazza, Giovanna
err分享
err收藏
SAMPL7 blind predictions using nonequilibrium alchemical approaches
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2021-01-04
err18
PREAI
errProcacci, Piero; Guarnieri, Guido
err分享
err收藏
Virtual Double-System Single-Box: A Nonequilibrium Alchemical Technique for Absolute Binding Free Energy Calculations: Application to Ligands of the SARS-CoV-2 Main Protease
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-10-22
err30
errOAAI
errMacchiagodena, Marina; Pagliai, Marco; Karrenbrock, Maurice; Guarnieri, Guido; Iannone, Francesco; Procacci, Piero
err分享
err收藏
Upgraded AMBER Force Field for Zinc-Binding Residues and Ligands for Predicting Structural Properties and Binding Affinities in Zinc-Proteins锌结合残基和配体的升级琥珀力场，用于预测锌蛋白的结构特性和结合亲和力
errACS OMEGA
IF4.3
err2020-06-16
err26
errOAAI
errMacchiagodena, Marina; Pagliai, Marco; Andreini, Claudia; Rosato, Antonio; Procacci, Piero
err分享
err收藏

研究方向

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合作学者
合作期刊
M
Michele Parrinello
H 指数: 155 · 论文数: 924
M
Maria Luisa Brandi
H 指数: 114 · 论文数: 1.7K
F
Francesco Luigi Gervasio
H 指数: 55 · 论文数: 268
G
Giovanna Marrazza
H 指数: 53 · 论文数: 215
A
A. C. Albrecht
H 指数: 52 · 论文数: 304
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