Piero Procacci

Computational chemist, University of Florence (Italy), Dept. of Chemistry, the raft is mine

[Piero Procacci @procacci61]

One blob to rule them all: A Universal Dual-Topology Nonequilibrium Framework for Relative and Absolute Binding Free Energies via a Lennard-Jones Blob Reference
#compchem #DrugDesign

https://t.co/C7dKjiYCZG

[Piero Procacci @procacci61]

My paper on ABFE calculations with dual topology #nonequilibrium alchemy using an LJ-blob as reference is on chemrxiv

https://t.co/xF1WBujMks

[Piero Procacci @procacci61]

@yairlapid @KimDotcom https://t.co/DadKrjhgxc
This you?

[GB News @GBNEWS]

'Maybe we should of done it years ago, but this is inevitable.'

Leader of the Opposition in Israel Yair Lapid discusses the US-Israel action in Iran, confirming complete backing for the military operation.

[Piero Procacci @procacci61]

Neat work by the Zhaoxi Sun team from Shen Zhen University on Cyclodextrin host-guest binding affinities prediction using noneq alchemy with vDSSB
https://t.co/XCbcAWBTLh

[Piero Procacci @procacci61]

@grok W q1

[Piero Procacci @procacci61]

@wilhelm_2112

[Piero Procacci @procacci61]

@_iamblakeley @EYakoby

[Piero Procacci @procacci61]

@caitoz

[Piero Procacci @procacci61]

Solvation Free Energies of Drug-like Molecules via Fast Growth in an Explicit Solvent: Assessment of the AM1-BCC, RESP/HF/6–31G*, RESP-QM/MM, and ABCG2 Fixed-Charge Approaches | Journal of Chemical Theory and Computation https://t.co/jVMgRpuYLx

[Piero Procacci @procacci61]

Ultrasensitive Detection of FKBP12 Using a Synthetic Receptor‐Functionalized QCM Nanoplatform - Tozzetti - Advanced Sensor Research - Wiley Online Library https://t.co/xXNgzFG8KS

[Piero Procacci @procacci61]

https://t.co/EWkwMlIZOB

[Piero Procacci @procacci61]

@fdragoni Quando si parla di "spread" ci si riferisce ai bond 10yrs messi in
asta o scambiati sul mercato secondario. Se i rendimenti italiani
sono piu' alti di quelli greci significa che i bond IT sono piu'
rischiosi di quelli GR. E' piu' chiaro cosi'?

https://t.co/kNSYOQfO61

[Piero Procacci @procacci61]

@climacritic Ti sfugge un "piccolo" particolare. Nella troposfera solo il 10% della
energia assorbita viene riemesso. Il 90% viene convertito in calore,
attraverso urti molecolari con N2 ed O2. Quindi per ogni 100 joule
assorbiti, 90 contribuiscono a scaldare il pianeta. Tutto chiaro
adesso?

[Piero Procacci @procacci61]

@giulianol @Il_Vitruviano Purtroppo direi quasi nessuno

[Piero Procacci @procacci61]

@madforfree @GiorgiaMeloni Cara giornalista, se permetti, traduco piu' chiaramente la supercazzola della meritevole "statista": quando il padrone mi ordinava di abbracciare Z, io lo abbracciavo. Ora che mi ordina di buttarlo nel cesso, lo butto nel cesso. Gli ordini del padrone non si discutono mai.

[Piero Procacci @procacci61]

Very interesting chat between me and DeepSeek on alchemical methods for binding free energy calculations

#compchem #drugdesign

Anyone interested can find the chat here:

https://t.co/ROYRUxLa66

[Piero Procacci @procacci61]

@Naila_Ayad She is Rachel Corrie. She was killed on March 16, 2003 (aged 23) in Rafah by an IDF Caterpillar D9 (nicknamed "Doobi")

[Piero Procacci @procacci61]

PDBrestore is online. It repairs protein PDB chains extracted from a local PDB file or a PDB file downloaded from https://t.co/bgHpLjcEKe. The web app adds H's, fills gaps, adds missing side chains, produces a solvated MD Box. Feedback and RT appreciated. https://t.co/B8Ih1gi578

[Piero Procacci @procacci61]

A contribution to the understanding and rationalization of methodological and modeling effects in recent host-guest #SAMPL @samplchallenges https://t.co/om8IBHY7VT